 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer02_STD_B3LYPDBJ_augccpVDZ.in
 Output=26_junionone_conformer02_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-162943.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    162961.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer02_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:52:43 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer02_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.530099000000     -1.508264000000      1.055941000000
  C                                                 1.992159000000     -0.420719000000      0.101332000000
  C                                                 0.876932000000      0.415329000000     -0.653089000000
  C                                                -0.458897000000      0.388684000000     -0.019490000000
  C                                                -1.593028000000      0.006415000000     -0.609535000000
  C                                                -2.888593000000      0.009125000000      0.113412000000
  O                                                -2.988808000000      0.357087000000      1.273828000000
  C                                                 2.991586000000     -0.980627000000     -0.904352000000
  C                                                 2.495653000000      0.903435000000      0.738484000000
  C                                                 1.692114000000      1.700286000000     -0.311172000000
  C                                                -4.090420000000     -0.451292000000     -0.680206000000
  H                                                 3.575623000000      1.052608000000      0.763044000000
  H                                                 2.105043000000      1.042496000000      1.747169000000
  H                                                 0.794893000000      0.176326000000     -1.714627000000
  H                                                 1.113755000000      2.550616000000      0.047344000000
  H                                                 2.299691000000      2.026935000000     -1.153691000000
  H                                                 0.828612000000     -1.129461000000      1.799490000000
  H                                                 2.386498000000     -1.929915000000      1.588481000000
  H                                                 1.037863000000     -2.321547000000      0.516973000000
  H                                                 3.338078000000     -0.213622000000     -1.599830000000
  H                                                 2.542413000000     -1.786694000000     -1.489631000000
  H                                                 3.866547000000     -1.384606000000     -0.389083000000
  H                                                -0.531254000000      0.709327000000      1.016743000000
  H                                                -1.593669000000     -0.320419000000     -1.644436000000
  H                                                -3.932675000000     -1.470886000000     -1.042306000000
  H                                                -4.222470000000      0.181706000000     -1.561921000000
  H                                                -4.984113000000     -0.413788000000     -0.062287000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 19:52:43 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.530099   -1.508264    1.055941
      2          6           0        1.992159   -0.420719    0.101332
      3          6           0        0.876932    0.415329   -0.653089
      4          6           0       -0.458897    0.388684   -0.019490
      5          6           0       -1.593028    0.006415   -0.609535
      6          6           0       -2.888593    0.009125    0.113412
      7          8           0       -2.988808    0.357087    1.273828
      8          6           0        2.991586   -0.980627   -0.904352
      9          6           0        2.495653    0.903435    0.738484
     10          6           0        1.692114    1.700286   -0.311172
     11          6           0       -4.090420   -0.451292   -0.680206
     12          1           0        3.575623    1.052608    0.763044
     13          1           0        2.105043    1.042496    1.747169
     14          1           0        0.794893    0.176326   -1.714627
     15          1           0        1.113755    2.550616    0.047344
     16          1           0        2.299691    2.026935   -1.153691
     17          1           0        0.828612   -1.129461    1.799490
     18          1           0        2.386498   -1.929915    1.588481
     19          1           0        1.037863   -2.321547    0.516973
     20          1           0        3.338078   -0.213622   -1.599830
     21          1           0        2.542413   -1.786694   -1.489631
     22          1           0        3.866547   -1.384606   -0.389083
     23          1           0       -0.531254    0.709327    1.016743
     24          1           0       -1.593669   -0.320419   -1.644436
     25          1           0       -3.932675   -1.470886   -1.042306
     26          1           0       -4.222470    0.181706   -1.561921
     27          1           0       -4.984113   -0.413788   -0.062287
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519056   0.000000
     3  C    2.654736   1.584884   0.000000
     4  C    2.951452   2.584068   1.478715   0.000000
     5  C    3.849933   3.679856   2.503959   1.334367   0.000000
     6  C    4.766096   4.899658   3.864156   2.462753   1.483627
     7  O    4.893621   5.175883   4.319762   2.841500   2.370280
     8  C    2.501418   1.524386   2.546289   3.816258   4.698921
     9  C    2.617129   1.553336   2.189744   3.093357   4.397626
    10  C    3.491424   2.181479   1.559661   2.536183   3.708150
    11  C    5.976757   6.132659   5.042455   3.785507   2.539972
    12  H    3.290596   2.261839   3.113598   4.162992   5.449169
    13  H    2.704576   2.205112   2.768182   3.181563   4.505912
    14  H    3.324819   2.255574   1.091199   2.119098   2.636715
    15  H    4.202989   3.098926   2.259677   2.674257   3.772416
    16  H    4.239384   2.767791   2.207288   3.402953   4.419487
    17  H    1.090156   2.177131   2.898940   2.696504   3.599716
    18  H    1.093073   2.155177   3.578211   4.007212   4.941384
    19  H    1.092800   2.167161   2.980845   3.142202   3.689175
    20  H    3.463814   2.179068   2.710929   4.156593   5.034373
    21  H    2.753587   2.167909   2.884880   3.987662   4.592568
    22  H    2.749977   2.164004   3.499609   4.689416   5.638306
    23  H    3.027940   2.912489   2.204033   1.087118   2.065485
    24  H    4.296619   3.989477   2.761877   2.104990   1.085284
    25  H    5.852003   6.124901   5.180890   4.070785   2.800653
    26  H    6.542266   6.461497   5.185022   4.072642   2.802094
    27  H    6.699498   6.978194   5.948809   4.596017   3.460565
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.215601   0.000000
     8  C    6.049129   6.503773   0.000000
     9  C    5.493688   5.537545   2.548441   0.000000
    10  C    4.901344   5.121273   3.037727   1.543510   0.000000
    11  C    1.512019   2.384381   7.105297   6.871996   6.180872
    12  H    6.580043   6.620907   2.693576   1.090500   2.262970
    13  H    5.354757   5.161507   3.451021   1.090578   2.199992
    14  H    4.115550   4.824928   2.611617   3.072300   2.257686
    15  H    4.741554   4.811118   4.111162   2.258433   1.089079
    16  H    5.709238   6.053880   3.096178   2.209294   1.088893
    17  H    4.237552   4.130235   3.465742   2.835035   3.634281
    18  H    5.810533   5.850068   2.735232   2.960115   4.155624
    19  H    4.583879   4.895098   2.763198   3.546086   4.158005
    20  H    6.461907   6.972310   1.091807   2.724924   2.834234
    21  H    5.940584   6.544227   1.092727   3.493348   3.777672
    22  H    6.915700   7.265993   1.092821   2.895840   3.775022
    23  H    2.619797   2.495944   4.353958   3.045861   2.772855
    24  H    2.208044   3.304798   4.691286   4.888628   4.081325
    25  H    2.148540   3.097878   6.942966   7.080396   6.498395
    26  H    2.148430   3.097443   7.336622   7.137642   6.233198
    27  H    2.144978   2.522042   8.040034   7.636963   7.007372
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.944363   0.000000
    13  H    6.819627   1.769522   0.000000
    14  H    5.032913   3.826119   3.801418   0.000000
    15  H    6.051795   2.969352   2.479210   2.973797   0.000000
    16  H    6.870176   2.500238   3.069527   2.450269   1.767250
    17  H    5.550287   3.658103   2.519804   3.749031   4.085865
    18  H    7.020237   3.315239   2.989921   4.228473   4.906132
    19  H    5.588415   4.229149   3.737518   3.358339   4.895333
    20  H    7.488977   2.691271   3.781615   2.575467   3.911752
    21  H    6.814172   3.768780   4.321167   2.637783   4.818258
    22  H    8.016804   2.711466   3.682023   3.691698   4.822272
    23  H    4.110272   4.129000   2.755828   3.082716   2.652571
    24  H    2.679670   5.865385   5.200095   2.440678   4.293612
    25  H    1.093422   8.124152   7.110014   5.051259   6.544178
    26  H    1.093410   8.183776   7.192250   5.019689   6.056135
    27  H    1.087160   8.723564   7.459962   6.039484   6.781129
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.565982   0.000000
    18  H    4.814946   1.764160   0.000000
    19  H    4.826243   1.763436   1.766443   0.000000
    20  H    2.509459   4.323373   3.743861   3.770304   0.000000
    21  H    3.836083   3.766615   3.085384   2.564410   1.766290
    22  H    3.831224   3.752866   2.529559   3.114522   1.765330
    23  H    3.802778   2.417244   3.975646   3.449362   4.761304
    24  H    4.572653   4.287496   5.374380   3.949831   4.933105
    25  H    7.147695   5.555378   6.860298   5.278373   7.399689
    26  H    6.790442   6.207389   7.619871   6.185400   7.570971
    27  H    7.759001   6.145419   7.703868   6.343444   8.465398
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768110   0.000000
    23  H    4.686092   5.069670   0.000000
    24  H    4.391025   5.702838   3.044828   0.000000
    25  H    6.498200   7.827005   4.534609   2.675273   0.000000
    26  H    7.045812   8.322324   4.533538   2.677598   1.756429
    27  H    7.782723   8.909740   4.717377   3.742596   1.784213
                   26         27
    26  H    0.000000
    27  H    1.784269   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.11D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.530099   -1.508264    1.055941
      2          6           0        1.992159   -0.420719    0.101332
      3          6           0        0.876932    0.415329   -0.653089
      4          6           0       -0.458897    0.388684   -0.019490
      5          6           0       -1.593028    0.006415   -0.609535
      6          6           0       -2.888593    0.009125    0.113412
      7          8           0       -2.988808    0.357087    1.273828
      8          6           0        2.991586   -0.980627   -0.904352
      9          6           0        2.495653    0.903435    0.738484
     10          6           0        1.692114    1.700286   -0.311172
     11          6           0       -4.090420   -0.451292   -0.680206
     12          1           0        3.575623    1.052608    0.763044
     13          1           0        2.105043    1.042496    1.747169
     14          1           0        0.794893    0.176326   -1.714627
     15          1           0        1.113755    2.550616    0.047344
     16          1           0        2.299691    2.026935   -1.153691
     17          1           0        0.828612   -1.129461    1.799490
     18          1           0        2.386498   -1.929915    1.588481
     19          1           0        1.037863   -2.321547    0.516973
     20          1           0        3.338078   -0.213622   -1.599830
     21          1           0        2.542413   -1.786694   -1.489631
     22          1           0        3.866547   -1.384606   -0.389083
     23          1           0       -0.531254    0.709327    1.016743
     24          1           0       -1.593669   -0.320419   -1.644436
     25          1           0       -3.932675   -1.470886   -1.042306
     26          1           0       -4.222470    0.181706   -1.561921
     27          1           0       -4.984113   -0.413788   -0.062287
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.2586681           0.5040654           0.4908743
 Leave Link  202 at Thu Aug 12 19:52:43 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       609.3387863805 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0449229138 Hartrees.
 Nuclear repulsion after empirical dispersion term =      609.2938634668 Hartrees.
 Leave Link  301 at Thu Aug 12 19:52:45 2021, MaxMem=  5368709120 cpu:              10.5 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.87D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 19:52:45 2021, MaxMem=  5368709120 cpu:               3.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:52:45 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer02_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:52:46 2021, MaxMem=  5368709120 cpu:               3.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368350547 LenY=  5368174545
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.979164108372    
 DIIS: error= 1.36D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.979164108372     IErMin= 1 ErrMin= 1.36D-03
 ErrMax= 1.36D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.02D-03 BMatP= 5.02D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.36D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.191 Goal=   None    Shift=    0.000
 GapD=    0.191 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.87D-02 MaxDP=6.23D+00              OVMax= 1.38D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.98D-02    CP:  1.79D+00
 E= -465.983372109590     Delta-E=       -0.004208001218 Rises=F Damp=F
 DIIS: error= 2.35D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.983372109590     IErMin= 2 ErrMin= 2.35D-04
 ErrMax= 2.35D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-04 BMatP= 5.02D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.35D-03
 Coeff-Com:  0.203D-01 0.980D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.203D-01 0.980D+00
 Gap=     0.194 Goal=   None    Shift=    0.000
 RMSDP=1.21D-03 MaxDP=1.98D-01 DE=-4.21D-03 OVMax= 6.98D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.84D-04    CP:  1.81D+00  1.03D+00
 E= -465.983133724099     Delta-E=        0.000238385491 Rises=F Damp=F
 DIIS: error= 5.11D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -465.983372109590     IErMin= 2 ErrMin= 2.35D-04
 ErrMax= 5.11D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.11D-04 BMatP= 1.06D-04
 IDIUse=3 WtCom= 3.07D-01 WtEn= 6.93D-01
 Coeff-Com: -0.735D-02 0.671D+00 0.336D+00
 Coeff-En:   0.000D+00 0.744D+00 0.256D+00
 Coeff:     -0.225D-02 0.722D+00 0.281D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=1.14D-04 MaxDP=8.58D-03 DE= 2.38D-04 OVMax= 4.29D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.24D-05    CP:  1.82D+00  1.03D+00  8.77D-01
 E= -465.983455786721     Delta-E=       -0.000322062622 Rises=F Damp=F
 DIIS: error= 5.52D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.983455786721     IErMin= 4 ErrMin= 5.52D-05
 ErrMax= 5.52D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.96D-06 BMatP= 1.06D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.472D-02 0.247D+00 0.396D-01 0.718D+00
 Coeff:     -0.472D-02 0.247D+00 0.396D-01 0.718D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=6.28D-05 MaxDP=5.69D-03 DE=-3.22D-04 OVMax= 7.02D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.72D-05    CP:  1.82D+00  1.03D+00  8.35D-01  1.27D+00
 E= -465.983461766322     Delta-E=       -0.000005979601 Rises=F Damp=F
 DIIS: error= 2.13D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.983461766322     IErMin= 5 ErrMin= 2.13D-05
 ErrMax= 2.13D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.58D-07 BMatP= 6.96D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.113D-02 0.248D-01-0.234D-01 0.359D+00 0.641D+00
 Coeff:     -0.113D-02 0.248D-01-0.234D-01 0.359D+00 0.641D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=1.48D-05 MaxDP=1.75D-03 DE=-5.98D-06 OVMax= 2.81D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.88D-06    CP:  1.82D+00  1.03D+00  8.50D-01  1.26D+00  7.61D-01
 E= -465.983462199816     Delta-E=       -0.000000433494 Rises=F Damp=F
 DIIS: error= 6.13D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.983462199816     IErMin= 6 ErrMin= 6.13D-06
 ErrMax= 6.13D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.59D-08 BMatP= 4.58D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.501D-03 0.464D-02-0.158D-01 0.191D+00 0.393D+00 0.428D+00
 Coeff:     -0.501D-03 0.464D-02-0.158D-01 0.191D+00 0.393D+00 0.428D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=3.19D-06 MaxDP=1.99D-04 DE=-4.33D-07 OVMax= 1.29D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.78D-06    CP:  1.82D+00  1.03D+00  8.49D-01  1.26D+00  7.96D-01
                    CP:  8.85D-01
 E= -465.983462256229     Delta-E=       -0.000000056413 Rises=F Damp=F
 DIIS: error= 1.36D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.983462256229     IErMin= 7 ErrMin= 1.36D-06
 ErrMax= 1.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-09 BMatP= 5.59D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.898D-04-0.931D-03-0.443D-02 0.443D-01 0.101D+00 0.195D+00
 Coeff-Com:  0.666D+00
 Coeff:     -0.898D-04-0.931D-03-0.443D-02 0.443D-01 0.101D+00 0.195D+00
 Coeff:      0.666D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=9.17D-07 MaxDP=7.19D-05 DE=-5.64D-08 OVMax= 3.14D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.28D-07    CP:  1.82D+00  1.03D+00  8.50D-01  1.26D+00  7.97D-01
                    CP:  8.80D-01  9.45D-01
 E= -465.983462258076     Delta-E=       -0.000000001847 Rises=F Damp=F
 DIIS: error= 4.95D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.983462258076     IErMin= 8 ErrMin= 4.95D-07
 ErrMax= 4.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.39D-10 BMatP= 2.22D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.551D-05-0.905D-03-0.102D-02 0.721D-02 0.200D-01 0.698D-01
 Coeff-Com:  0.398D+00 0.507D+00
 Coeff:     -0.551D-05-0.905D-03-0.102D-02 0.721D-02 0.200D-01 0.698D-01
 Coeff:      0.398D+00 0.507D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=4.76D-07 MaxDP=4.88D-05 DE=-1.85D-09 OVMax= 7.44D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.61D-07    CP:  1.82D+00  1.03D+00  8.50D-01  1.26D+00  7.95D-01
                    CP:  8.90D-01  9.42D-01  7.33D-01
 E= -465.983462258660     Delta-E=       -0.000000000584 Rises=F Damp=F
 DIIS: error= 7.09D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.983462258660     IErMin= 9 ErrMin= 7.09D-08
 ErrMax= 7.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.65D-12 BMatP= 5.39D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.439D-05-0.262D-03-0.273D-04-0.820D-03-0.280D-03 0.963D-02
 Coeff-Com:  0.955D-01 0.178D+00 0.718D+00
 Coeff:      0.439D-05-0.262D-03-0.273D-04-0.820D-03-0.280D-03 0.963D-02
 Coeff:      0.955D-01 0.178D+00 0.718D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=7.04D-08 MaxDP=3.96D-06 DE=-5.84D-10 OVMax= 8.71D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.77D-08    CP:  1.82D+00  1.03D+00  8.50D-01  1.26D+00  7.96D-01
                    CP:  8.90D-01  9.50D-01  7.57D-01  9.64D-01
 E= -465.983462258619     Delta-E=        0.000000000041 Rises=F Damp=F
 DIIS: error= 2.64D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -465.983462258660     IErMin=10 ErrMin= 2.64D-08
 ErrMax= 2.64D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-12 BMatP= 9.65D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.241D-05-0.829D-04 0.301D-04-0.678D-03-0.881D-03 0.132D-02
 Coeff-Com:  0.275D-01 0.587D-01 0.338D+00 0.576D+00
 Coeff:      0.241D-05-0.829D-04 0.301D-04-0.678D-03-0.881D-03 0.132D-02
 Coeff:      0.275D-01 0.587D-01 0.338D+00 0.576D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=1.74D-08 MaxDP=1.65D-06 DE= 4.09D-11 OVMax= 2.71D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.13D-08    CP:  1.82D+00  1.03D+00  8.50D-01  1.26D+00  7.96D-01
                    CP:  8.90D-01  9.50D-01  7.65D-01  9.88D-01  9.17D-01
 E= -465.983462258618     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 7.40D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 9 EnMin= -465.983462258660     IErMin=11 ErrMin= 7.40D-09
 ErrMax= 7.40D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.46D-14 BMatP= 1.17D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.493D-06-0.705D-05 0.152D-04-0.198D-03-0.324D-03-0.497D-03
 Coeff-Com:  0.197D-02 0.493D-02 0.631D-01 0.231D+00 0.700D+00
 Coeff:      0.493D-06-0.705D-05 0.152D-04-0.198D-03-0.324D-03-0.497D-03
 Coeff:      0.197D-02 0.493D-02 0.631D-01 0.231D+00 0.700D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=6.34D-09 MaxDP=8.29D-07 DE= 9.09D-13 OVMax= 7.34D-08

 SCF Done:  E(RB3LYP) =  -465.983462259     A.U. after   11 cycles
            NFock= 11  Conv=0.63D-08     -V/T= 2.0062
 KE= 4.631315005231D+02 PE=-2.300290767615D+03 EE= 7.618819413661D+02
 Leave Link  502 at Thu Aug 12 19:55:39 2021, MaxMem=  5368709120 cpu:            1377.5 elap:             172.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.87496732D+02

 Leave Link  801 at Thu Aug 12 19:55:39 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 7.05D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 3.08D-01 9.92D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 7.26D-02 1.06D-01.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 1.09D-02 3.31D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 1.62D-03 9.50D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 7.64D-05 1.11D-03.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 1.64D-06 1.66D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 2.58D-08 2.15D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 3.92D-10 3.21D-06.
     10 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 3.53D-12 4.07D-07.
      3 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 5.23D-14 2.66D-08.
      1 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 1.86D-14 1.33D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.180646D+03
      2  0.591379D+01  0.112194D+03
      3  0.302956D+01  0.317624D+01  0.116003D+03
 Isotropic polarizability for W=    0.085645      136.28 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.916202D+02 -0.298853D+02 -0.237324D+01
      2   0.774721D+02  0.656040D+01  0.968658D+01
      3   0.141481D+02  0.233249D+02 -0.731333D+01
      4  -0.425871D+02  0.999756D+02 -0.278034D+02
      5  -0.365231D+02 -0.305497D+02  0.564430D+01
      6  -0.135257D+02 -0.200227D+02 -0.129693D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.750149D+01 -0.885335D+01  0.557320D+01
      2   0.355187D+02 -0.966409D+01  0.396631D+01
      3   0.275229D+02 -0.426314D+02  0.153473D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.274627D+01 -0.297092D+02  0.362942D+02
      2   0.341498D+02 -0.142777D+02 -0.850378D+01
      3  -0.127018D+02 -0.225035D+02  0.170240D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.215506D+01 -0.611126D+01 -0.532496D+01
      2  -0.611126D+01  0.353495D+00  0.579036D+01
      3  -0.532496D+01  0.579036D+01 -0.432680D+01
 OR G Eigenvalues:    -8.4142    -4.7457    11.3416  Iso=     0.6061
 Eigenvectors:
   (1)   0.178481  -0.452588   0.873675
   (2)   0.729332   0.656875   0.191286
   (3)   0.660469  -0.603058  -0.447327
 w=    0.085645 a.u., Optical Rotation Beta=      0.6061 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      188.82 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 1.90D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.27D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.40D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 3.05D-02 4.67D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 2.02D-03 7.18D-03.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 2.08D-05 5.78D-04.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 3.51D-07 5.73D-05.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 2.20D-09 3.83D-06.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 6.70D-12 2.31D-07.
     10 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 1.84D-14 9.05D-09.
      3 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 1.48D-15 4.13D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   223 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 6.16D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 6.16D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.21D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.180646D+03  0.591379D+01  0.302956D+01
      2   0.591379D+01  0.112194D+03  0.317624D+01
      3   0.302956D+01  0.317624D+01  0.116003D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.750149D+01 -0.885335D+01  0.557320D+01
      2   0.355187D+02 -0.966409D+01  0.396631D+01
      3   0.275229D+02 -0.426314D+02  0.153473D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.916202D+02 -0.298853D+02 -0.237324D+01
      2   0.774721D+02  0.656040D+01  0.968658D+01
      3   0.141481D+02  0.233249D+02 -0.731333D+01
      4  -0.425871D+02  0.999756D+02 -0.278034D+02
      5  -0.365231D+02 -0.305497D+02  0.564430D+01
      6  -0.135257D+02 -0.200227D+02 -0.129693D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.389399D+01  0.240858D+01 -0.420149D+01  0.140480D+01  0.367372D+00
      2   0.240858D+01  0.131640D+00  0.411144D+01  0.367372D+00  0.327322D+01
      3  -0.420149D+01  0.411144D+01  0.135464D+00  0.410163D+01  0.175716D+01
                 6             7             8             9            10 
      1   0.410163D+01 -0.425851D+01  0.408017D+01  0.278893D+00  0.272805D+02
      2   0.175716D+01  0.408017D+01  0.253373D+01  0.189556D-01 -0.409565D+01
      3  -0.100279D+01  0.278893D+00  0.189556D-01 -0.208461D+01  0.427818D+01
                11            12            13            14            15 
      1  -0.409565D+01  0.427818D+01 -0.104698D+02  0.275698D+01 -0.484781D+01
      2   0.854428D+00 -0.383140D+01  0.275698D+01 -0.462301D+01 -0.342111D+01
      3  -0.383140D+01 -0.802402D+00 -0.484781D+01 -0.342111D+01 -0.449601D+00
                16            17            18            19            20 
      1   0.203843D+02 -0.527195D+01  0.135964D+00 -0.519658D+02 -0.834827D+00
      2  -0.527195D+01 -0.291215D+01  0.416971D-01 -0.834827D+00 -0.514472D+01
      3   0.135964D+00  0.416971D-01  0.911163D+00 -0.159187D+01  0.121534D+01
                21            22            23            24            25 
      1  -0.159187D+01  0.685331D+01 -0.104634D+02  0.248281D+01 -0.867925D+01
      2   0.121534D+01 -0.104634D+02 -0.123759D+01 -0.737173D+00  0.214728D+01
      3  -0.404804D-01  0.248281D+01 -0.737173D+00  0.251610D+01  0.605090D+00
                26            27            28            29            30 
      1   0.214728D+01  0.605090D+00  0.686726D+02  0.399181D+01 -0.199083D+00
      2  -0.182594D+01  0.243103D+01  0.399181D+01  0.360756D+01 -0.683480D+00
      3   0.243103D+01  0.488160D+01 -0.199083D+00 -0.683480D+00  0.155252D+01
                31            32            33            34            35 
      1   0.122539D+02  0.696925D+01 -0.195179D+01  0.874765D+01 -0.619610D+00
      2   0.696925D+01  0.309377D+01 -0.359423D+00 -0.619610D+00  0.133419D+01
      3  -0.195179D+01 -0.359423D+00 -0.118419D+01  0.177838D+01 -0.166566D+01
                36            37            38            39            40 
      1   0.177838D+01 -0.593814D+02 -0.337134D+01  0.316112D+01 -0.132698D+02
      2  -0.166566D+01 -0.337134D+01 -0.201558D+01  0.880525D+00 -0.466414D+01
      3  -0.326975D+01  0.316112D+01  0.880525D+00 -0.124824D+01  0.137283D+01
                41            42            43            44            45 
      1  -0.466414D+01  0.137283D+01 -0.127264D+02 -0.814931D+00 -0.403933D+01
      2  -0.233112D+01 -0.757864D+00 -0.814931D+00 -0.218342D+01  0.182463D+01
      3  -0.757864D+00  0.190150D+01 -0.403933D+01  0.182463D+01  0.273583D+01
                46            47            48            49            50 
      1   0.176404D+02  0.127918D+01 -0.206332D+01 -0.560463D+01 -0.101346D+01
      2   0.127918D+01 -0.113095D+01  0.395131D+00 -0.101346D+01 -0.599708D+00
      3  -0.206332D+01  0.395131D+00 -0.405996D+00  0.350838D+01 -0.719699D+00
                51            52            53            54            55 
      1   0.350838D+01 -0.279780D+02  0.123028D+01  0.975263D+01 -0.460775D+01
      2  -0.719699D+00  0.123028D+01  0.623941D+00 -0.855524D+00  0.567205D+00
      3  -0.156422D+01  0.975263D+01 -0.855524D+00 -0.615289D+01  0.232189D+01
                56            57            58            59            60 
      1   0.567205D+00  0.232189D+01  0.896837D+01 -0.186162D+01 -0.317543D+01
      2  -0.206194D+00 -0.585759D+00 -0.186162D+01  0.174848D+01  0.298989D+01
      3  -0.585759D+00 -0.114654D+01 -0.317543D+01  0.298989D+01  0.152691D+01
                61            62            63            64            65 
      1   0.289680D+02 -0.435548D+00 -0.111142D+02 -0.960452D+01  0.262368D+01
      2  -0.435548D+00  0.111922D+01  0.114070D+01  0.262368D+01  0.272420D-01
      3  -0.111142D+02  0.114070D+01  0.111964D+02 -0.272374D+01  0.425013D+01
                66            67            68            69            70 
      1  -0.272374D+01  0.339319D+01 -0.142934D+01  0.412599D+01 -0.907756D+01
      2   0.425013D+01 -0.142934D+01  0.215907D+01  0.392616D+01  0.448470D+01
      3   0.129158D+01  0.412599D+01  0.392616D+01 -0.101252D+01 -0.747480D-01
                71            72            73            74            75 
      1   0.448470D+01 -0.747480D-01 -0.713454D+01 -0.184781D+01 -0.186011D+01
      2   0.331340D+01 -0.170261D+00 -0.184781D+01  0.237279D+01 -0.538136D+00
      3  -0.170261D+00  0.160109D+01 -0.186011D+01 -0.538136D+00  0.282996D+01
                76            77            78            79            80 
      1  -0.186379D+01  0.275404D+01 -0.743282D+00  0.649016D+00 -0.210034D+00
      2   0.275404D+01  0.556801D+01  0.351552D+01 -0.210034D+00  0.339474D+01
      3  -0.743282D+00  0.351552D+01 -0.726778D+00  0.231993D+01 -0.201390D+01
                81            82            83            84            85 
      1   0.231993D+01  0.870604D+01  0.306936D+01  0.684351D+00  0.660147D+01
      2  -0.201390D+01  0.306936D+01  0.445078D+01  0.328420D+01  0.659415D+01
      3  -0.365279D+01  0.684351D+00  0.328420D+01 -0.302420D+01  0.244949D+01
                86            87            88            89            90 
      1   0.659415D+01  0.244949D+01  0.980852D+01  0.626417D+01 -0.384099D+01
      2  -0.231425D+01  0.487534D-01  0.626417D+01  0.204596D-01 -0.425396D+00
      3   0.487534D-01  0.263254D+00 -0.384099D+01 -0.425396D+00  0.689336D+00
                91            92            93            94            95 
      1   0.120703D+01 -0.166732D+01 -0.524787D+01 -0.276332D+01  0.641166D+00
      2  -0.166732D+01 -0.111715D+01 -0.125827D+01  0.641166D+00  0.415735D+01
      3  -0.524787D+01 -0.125827D+01  0.101461D+01 -0.116060D+01  0.373388D+01
                96            97            98            99           100 
      1  -0.116060D+01 -0.816893D+01 -0.111673D+01  0.384998D+01  0.118933D+02
      2   0.373388D+01 -0.111673D+01  0.312596D+01 -0.101219D+01  0.249643D+01
      3  -0.159038D+01  0.384998D+01 -0.101219D+01  0.415683D+01  0.259857D+01
               101           102           103           104           105 
      1   0.249643D+01  0.259857D+01  0.918913D+00  0.151287D+01  0.262055D+00
      2   0.181939D+01  0.632629D+00  0.151287D+01  0.552202D+00  0.191649D+00
      3   0.632629D+00  0.146776D+01  0.262055D+00  0.191649D+00  0.201298D+00
               106           107           108           109           110 
      1   0.256543D+00  0.168135D+00  0.114493D+01 -0.821603D-01  0.440262D+00
      2   0.168135D+00 -0.249039D+00  0.523739D+00  0.440262D+00 -0.896490D+00
      3   0.114493D+01  0.523739D+00  0.107015D+01  0.959991D+00 -0.311683D+00
               111           112           113           114           115 
      1   0.959991D+00  0.884107D-01 -0.521781D-01  0.100682D+00  0.902697D+00
      2  -0.311683D+00 -0.521781D-01  0.451108D+00  0.719106D+00  0.108272D+00
      3  -0.207761D+01  0.100682D+00  0.719106D+00  0.909001D+00  0.133106D+00
               116           117           118           119           120 
      1   0.108272D+00  0.133106D+00  0.231963D-01 -0.360998D+00 -0.736779D+00
      2   0.169731D+01  0.179975D+01 -0.360998D+00  0.314951D+00 -0.103615D+00
      3   0.179975D+01  0.815145D+01 -0.736779D+00 -0.103615D+00 -0.236267D+00
               121           122           123           124           125 
      1  -0.210599D+01  0.365337D+00 -0.405673D-01 -0.115561D+01 -0.239671D-02
      2   0.365337D+00 -0.508894D+00 -0.108037D+01 -0.239671D-02 -0.109593D+01
      3  -0.405673D-01 -0.108037D+01 -0.139639D+01  0.100537D+00 -0.829973D+00
               126           127           128           129           130 
      1   0.100537D+00 -0.199737D+01  0.156733D+01  0.521041D-01 -0.515791D+00
      2  -0.829973D+00  0.156733D+01 -0.437111D+01 -0.557369D+00 -0.171460D+01
      3  -0.751866D+01  0.521041D-01 -0.557369D+00 -0.322027D+00 -0.370821D+00
               131           132           133           134           135 
      1  -0.171460D+01 -0.370821D+00  0.137269D+00 -0.782059D+00  0.222721D+00
      2   0.849677D+01  0.658291D+00 -0.782059D+00  0.239089D+01  0.139098D+01
      3   0.658291D+00  0.895642D+00  0.222721D+00  0.139098D+01  0.554331D+00
               136           137           138           139           140 
      1   0.303590D+01  0.170030D+01 -0.190031D+01 -0.421597D+00  0.119643D+01
      2   0.170030D+01  0.177326D+01 -0.154641D+01  0.119643D+01  0.264914D+01
      3  -0.190031D+01 -0.154641D+01  0.235177D+01 -0.110540D+01 -0.162920D+01
               141           142           143           144           145 
      1  -0.110540D+01 -0.536003D+01 -0.290208D+01  0.297403D+01 -0.286612D+01
      2  -0.162920D+01 -0.290208D+01 -0.315609D+01  0.267660D+01  0.418237D+00
      3   0.138926D+01  0.297403D+01  0.267660D+01 -0.441441D+01  0.191322D+01
               146           147           148           149           150 
      1   0.418237D+00  0.191322D+01  0.143917D+01 -0.838301D+00 -0.666623D+00
      2  -0.106680D+01 -0.195610D+00 -0.838301D+00  0.512749D+00  0.275819D+00
      3  -0.195610D+00 -0.247267D+01 -0.666623D+00  0.275819D+00  0.137670D+01
               151           152           153           154           155 
      1   0.158392D+01 -0.545330D+00 -0.193031D+01  0.590364D+01 -0.302343D+01
      2  -0.545330D+00  0.775504D+00 -0.341995D-01 -0.302343D+01  0.307326D+01
      3  -0.193031D+01 -0.341995D-01  0.441263D+01  0.317162D+01 -0.232895D+01
               156           157           158           159           160 
      1   0.317162D+01 -0.138445D+01  0.191120D+01 -0.142102D+01  0.177299D+01
      2  -0.232895D+01  0.191120D+01 -0.290766D+01  0.154265D+01 -0.173994D+01
      3   0.291279D+01 -0.142102D+01  0.154265D+01 -0.126675D+01  0.216428D+01
               161           162           163           164           165 
      1  -0.173994D+01  0.216428D+01 -0.125108D+01 -0.160273D+01 -0.275460D-01
      2   0.144571D+01 -0.195745D+01 -0.160273D+01 -0.258306D+01 -0.600908D+00
      3  -0.195745D+01  0.321807D+01 -0.275460D-01 -0.600908D+00 -0.655962D+00
               166           167           168           169           170 
      1  -0.110048D+01 -0.147055D+01 -0.575659D+00 -0.540857D+00 -0.880316D+00
      2  -0.147055D+01 -0.662485D+01 -0.784835D+00 -0.880316D+00 -0.313700D+01
      3  -0.575659D+00 -0.784835D+00 -0.118652D+01 -0.449938D+00 -0.108092D+01
               171           172           173           174           175 
      1  -0.449938D+00  0.295815D+01  0.716853D+00 -0.131620D+01  0.204279D+01
      2  -0.108092D+01  0.716853D+00  0.758060D+00 -0.103957D+01  0.104767D+01
      3  -0.101321D+01 -0.131620D+01 -0.103957D+01  0.132066D+01 -0.200030D+01
               176           177           178           179           180 
      1   0.104767D+01 -0.200030D+01 -0.146521D+01 -0.114688D+01  0.221866D+01
      2   0.249527D+01 -0.190847D+01 -0.114688D+01 -0.188812D+01  0.153729D+01
      3  -0.190847D+01  0.273191D+01  0.221866D+01  0.153729D+01 -0.412973D+01
               181           182           183           184           185 
      1  -0.102392D+00 -0.769615D+00 -0.216865D+00 -0.138806D+01  0.349434D+00
      2  -0.769615D+00 -0.198718D+01 -0.149107D+01  0.349434D+00 -0.537757D+01
      3  -0.216865D+00 -0.149107D+01 -0.158138D+01 -0.105104D+00 -0.313058D+01
               186           187           188           189           190 
      1  -0.105104D+00 -0.193982D+00 -0.299646D+00  0.197123D+00  0.949499D+01
      2  -0.313058D+01 -0.299646D+00 -0.284312D+01 -0.240662D+01 -0.354232D+01
      3  -0.246392D+01  0.197123D+00 -0.240662D+01 -0.323955D+01  0.114934D+01
               191           192           193           194           195 
      1  -0.354232D+01  0.114934D+01 -0.304966D+01  0.262254D+01 -0.649048D+00
      2   0.201114D+01 -0.719782D+00  0.262254D+01 -0.221019D+01  0.267953D-01
      3  -0.719782D+00  0.123455D+01 -0.649048D+00  0.267953D-01 -0.529105D+00
               196           197           198           199           200 
      1   0.610076D+01 -0.207128D+01  0.139711D+01  0.140474D+01  0.535235D+00
      2  -0.207128D+01  0.113862D+01 -0.651508D+00  0.535235D+00  0.214898D-01
      3   0.139711D+01 -0.651508D+00  0.113192D+01  0.823409D+00  0.132001D-02
               201           202           203           204           205 
      1   0.823409D+00  0.143685D+01 -0.102829D+01  0.277416D+00  0.208760D+01
      2   0.132001D-02 -0.102829D+01  0.645161D+00  0.114943D+01  0.628249D+00
      3  -0.347808D-01  0.277416D+00  0.114943D+01  0.117510D+01  0.556387D+00
               206           207           208           209           210 
      1   0.628249D+00  0.556387D+00 -0.149105D+01 -0.630049D+00 -0.125102D+01
      2   0.134974D+01  0.118700D+01 -0.630049D+00 -0.829515D-01 -0.987193D-01
      3   0.118700D+01  0.467792D+01 -0.125102D+01 -0.987193D-01  0.156469D+00
               211           212           213           214           215 
      1  -0.927152D+00  0.253813D+00 -0.709255D+00 -0.178993D+01 -0.508880D+00
      2   0.253813D+00 -0.548226D+00 -0.923367D+00 -0.508880D+00 -0.110350D+01
      3  -0.709255D+00 -0.923367D+00 -0.176669D+01 -0.901284D+00 -0.162918D+01
               216           217           218           219           220 
      1  -0.901284D+00 -0.135868D+01 -0.549768D+00  0.433287D+00 -0.382417D+01
      2  -0.162918D+01 -0.549768D+00  0.666482D+00  0.423320D+00 -0.225144D+01
      3  -0.662000D+01  0.433287D+00  0.423320D+00  0.271144D+00 -0.952197D+00
               221           222           223           224           225 
      1  -0.225144D+01 -0.952197D+00 -0.149256D+01 -0.535817D+00 -0.157252D+01
      2  -0.773754D+01 -0.284745D+01 -0.535817D+00 -0.221191D+01 -0.162535D+01
      3  -0.284745D+01 -0.204254D+01 -0.157252D+01 -0.162535D+01 -0.237469D+01
               226           227           228           229           230 
      1  -0.311087D+01  0.755180D+00 -0.553438D+00  0.269898D+01 -0.132240D+01
      2   0.755180D+00 -0.278653D+00  0.524957D+00 -0.132240D+01  0.159330D+01
      3  -0.553438D+00  0.524957D+00 -0.801175D+00  0.168760D+01 -0.231818D+01
               231           232           233           234           235 
      1   0.168760D+01 -0.407153D+01  0.328170D+00 -0.357685D+01 -0.937284D+01
      2  -0.231818D+01  0.328170D+00 -0.229537D+01  0.178268D+01 -0.273764D+00
      3   0.306486D+01 -0.357685D+01  0.178268D+01 -0.654974D+01  0.234257D+01
               236           237           238           239           240 
      1  -0.273764D+00  0.234257D+01  0.588594D+00 -0.123252D+01  0.106010D+00
      2  -0.100165D+01  0.171741D+00 -0.123252D+01 -0.374988D+00  0.826167D-01
      3   0.171741D+00 -0.168954D+01  0.106010D+00  0.826167D-01  0.230879D+00
               241           242           243 
      1   0.555921D+01  0.444005D+00 -0.232965D+01
      2   0.444005D+00  0.638161D+00  0.307476D-02
      3  -0.232965D+01  0.307476D-02  0.163129D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.583514D+01  0.966036D+01  0.669449D+01  0.919357D+01  0.998625D+01
      2  -0.877063D+01  0.188616D+01  0.781464D+01  0.737997D+01  0.161359D+01
      3  -0.433972D+01 -0.915959D+01  0.183704D+01 -0.307193D+00 -0.635036D+01
                 6             7             8             9            10 
      1  -0.123799D+01  0.653076D+01  0.622480D+01 -0.527290D+01  0.757920D+01
      2  -0.704474D+01  0.327585D+01 -0.670459D+01 -0.410539D+01  0.246262D+02
      3  -0.109817D+02  0.639698D-02 -0.136618D+02 -0.923315D+00  0.123901D+02
                11            12            13            14            15 
      1  -0.603867D+01 -0.625988D+00 -0.105013D+02 -0.582384D+01 -0.563181D+01
      2  -0.101777D+02  0.203172D+01 -0.156401D+02 -0.474053D+01 -0.158512D+01
      3  -0.291575D+01  0.843497D+01  0.684211D+01  0.118173D+02  0.123418D+02
                16            17            18            19            20 
      1   0.605725D+01  0.328975D+01 -0.574545D+00 -0.870608D+00  0.386773D+01
      2   0.716280D+01 -0.253032D+00  0.249321D+01 -0.377538D+02 -0.123594D+01
      3   0.127390D+02  0.124908D+02  0.422340D+00 -0.222116D+02 -0.400763D+01
                21            22            23            24            25 
      1  -0.139834D+01  0.163055D+02  0.464067D+01 -0.156978D+01 -0.615984D+01
      2   0.187095D+01  0.297677D+01 -0.775993D+01  0.453835D+01 -0.185839D+02
      3  -0.241843D+01  0.272765D+01 -0.904614D+01  0.303310D+01 -0.514814D+01
                26            27            28            29            30 
      1   0.523818D+01 -0.401377D+01 -0.500959D+01 -0.239846D+00  0.718207D-01
      2   0.274242D+01  0.292954D+01  0.444322D+02  0.513324D+01 -0.499768D+01
      3   0.110826D+01 -0.103409D+01  0.206342D+02  0.994668D+01 -0.162314D+01
                31            32            33            34            35 
      1  -0.420975D+01 -0.286744D+01 -0.280059D+01  0.239928D+01 -0.219428D+00
      2   0.130910D+02  0.344866D+01 -0.130681D+01 -0.154452D+02 -0.110964D+01
      3   0.384730D+02  0.803824D+01  0.463954D+00 -0.114012D+01 -0.390157D+00
                36            37            38            39            40 
      1   0.340618D+01  0.309379D+01  0.152625D+01 -0.689822D+00  0.798118D+01
      2   0.141594D+01 -0.474041D+02 -0.384006D+01  0.140202D+02 -0.145086D+02
      3  -0.467325D+00 -0.172239D+02 -0.125621D+02  0.172726D+01 -0.110280D+02
                41            42            43            44            45 
      1   0.937851D+00 -0.509559D+01  0.231745D+01  0.278209D+00  0.754868D+00
      2  -0.260905D+01 -0.107250D+01 -0.153568D+02 -0.394431D+01 -0.638086D+01
      3  -0.617992D+01 -0.931404D+00  0.323916D-01 -0.557001D-01  0.945476D+00
                46            47            48            49            50 
      1   0.595820D+00 -0.248807D+01  0.266961D+01  0.671712D+01 -0.375924D+01
      2   0.653342D+01  0.168273D+01 -0.635639D+01 -0.751346D+01  0.180866D+01
      3   0.199495D+01  0.136420D+02 -0.372292D+01  0.255808D+02  0.160321D+01
                51            52            53            54            55 
      1  -0.776920D+01  0.210530D+01 -0.389329D+01  0.225980D+01 -0.160900D+01
      2   0.664101D+01 -0.557484D+02 -0.162214D+00  0.303732D+02 -0.328265D+00
      3  -0.118161D+01 -0.622668D+01 -0.988246D+01 -0.808511D+00  0.758051D-01
                56            57            58            59            60 
      1   0.789073D+00 -0.696131D+00 -0.200124D+00  0.274613D+01 -0.141949D+01
      2   0.192069D+01  0.837958D+01  0.104681D+02 -0.873175D+01 -0.814115D+01
      3  -0.773449D+01 -0.662074D+00 -0.655961D+01  0.592417D+01  0.789803D+01
                61            62            63            64            65 
      1  -0.132927D+01  0.907728D+01 -0.392960D+00 -0.568055D+01  0.602380D+01
      2   0.354200D+02 -0.337884D+01 -0.460425D+02 -0.164701D+02  0.170531D+02
      3   0.559584D+01  0.130310D+02  0.206499D+01 -0.213740D+01 -0.465733D+01
                66            67            68            69            70 
      1  -0.490036D+01  0.865483D+01  0.296652D+01 -0.814894D+01 -0.902367D+01
      2   0.263351D+01  0.162053D+02  0.128234D+02  0.204681D+01 -0.124353D+02
      3  -0.118439D+02  0.698866D+01 -0.706771D+01 -0.197493D+02 -0.135287D+02
                71            72            73            74            75 
      1  -0.180354D+01  0.402449D+01 -0.172494D+01  0.623097D+01 -0.517977D+01
      2   0.558051D+01  0.761660D+01  0.801222D+01  0.226753D+01  0.131892D+02
      3  -0.174293D+02  0.108310D+01 -0.135437D+01 -0.143665D+02  0.647611D+00
                76            77            78            79            80 
      1   0.224207D+01  0.112481D+01  0.534389D+01 -0.412948D+01  0.101011D+02
      2   0.349995D+00  0.692434D+01 -0.277126D+01  0.485151D+01 -0.641314D+01
      3  -0.660564D+01 -0.127492D+02 -0.131336D+02  0.242677D+01 -0.123533D+02
                81            82            83            84            85 
      1   0.159873D+01 -0.420014D+01 -0.137302D+02  0.784611D+01 -0.166409D+02
      2  -0.149739D+02  0.930769D+01  0.774605D+01 -0.340462D+01  0.923578D+01
      3   0.999677D+01  0.297096D+01 -0.686926D+01 -0.592431D+01  0.811103D+01
                86            87            88            89            90 
      1   0.493989D+00 -0.368925D+01  0.499054D+01  0.242002D+01 -0.537360D+00
      2   0.512677D+01  0.224420D+01 -0.191139D+01  0.319546D+01 -0.190756D+01
      3   0.166644D+02  0.697503D+01  0.879724D+00  0.142187D+02 -0.921450D+01
                91            92            93            94            95 
      1  -0.306402D+00  0.235355D+01  0.130822D+01 -0.748023D+01 -0.300034D+01
      2   0.211863D+02  0.349737D+01 -0.462426D+01  0.428327D+01 -0.161712D+02
      3  -0.831876D+01 -0.108987D+02 -0.329218D+01  0.167300D+02  0.204560D+02
                96            97            98            99           100 
      1  -0.876271D+01  0.529898D+01 -0.137078D+01  0.405417D+01 -0.931241D+00
      2   0.759132D+01 -0.267849D+02  0.324078D+01 -0.150805D+02 -0.466735D+01
      3   0.216216D+02 -0.523364D+01  0.127822D+02 -0.730066D+01  0.670007D+01
               101           102           103           104           105 
      1   0.205529D+01 -0.183188D+01  0.162436D+00  0.872059D-01 -0.135443D+01
      2  -0.171830D+00  0.544494D+01 -0.741368D+00 -0.645163D+00  0.639648D+00
      3  -0.666667D+01  0.917394D+00 -0.219375D+00 -0.256779D-03  0.586000D+00
               106           107           108           109           110 
      1  -0.101345D+01  0.801792D-01 -0.730733D+00 -0.734715D+00 -0.188524D+01
      2   0.126698D+01  0.105934D+01  0.239315D+01  0.398186D+01 -0.130877D+01
      3   0.241242D+00  0.682415D+00 -0.167002D+00 -0.160769D+01  0.215851D+01
               111           112           113           114           115 
      1   0.236798D+01 -0.929862D+00 -0.699466D+00 -0.174549D+01  0.281776D+00
      2  -0.665818D+01 -0.474765D+00  0.266104D+01  0.237943D+01 -0.537475D+01
      3   0.190880D+01  0.207883D+01 -0.803803D+00 -0.162120D+01  0.174300D+01
               116           117           118           119           120 
      1   0.268169D+01 -0.764475D+01  0.100984D+01  0.552904D+00  0.164464D+00
      2   0.458460D+01  0.232811D+02 -0.218265D+01 -0.451820D+00  0.780166D+00
      3  -0.368797D+01 -0.490847D+01  0.342312D+00 -0.134351D+01 -0.493252D+00
               121           122           123           124           125 
      1   0.108303D+01  0.160707D+01  0.227481D+00 -0.128843D+00  0.496462D+01
      2  -0.145564D+01 -0.487184D+00 -0.164500D+01 -0.413137D+01 -0.521612D+00
      3   0.325047D+01  0.440686D+00  0.606799D+00 -0.634340D+00  0.732216D-01
               126           127           128           129           130 
      1   0.382599D+01 -0.800602D+00  0.323734D+01  0.230433D+01  0.148142D+01
      2  -0.709443D+01 -0.802018D+00 -0.712957D+00  0.355232D+00 -0.211572D+01
      3   0.725703D+00 -0.823410D+01  0.954644D+01  0.116690D+01  0.850368D+01
               131           132           133           134           135 
      1  -0.477933D+01 -0.535820D+01 -0.747871D-01 -0.268906D+01 -0.246635D+01
      2   0.336071D+00  0.337616D+00 -0.937942D+00  0.190848D+01  0.101083D+01
      3  -0.182777D+02 -0.184835D+01  0.272351D+01 -0.619773D+01 -0.203828D+01
               136           137           138           139           140 
      1   0.369470D+01  0.208550D+01 -0.575579D+01  0.233855D+01  0.200374D+01
      2  -0.594683D+00 -0.181695D+01  0.488216D+01 -0.243214D+01 -0.224444D+01
      3   0.345296D+01 -0.241655D+01 -0.102651D+01 -0.165342D+00 -0.318608D+01
               141           142           143           144           145 
      1  -0.326481D+01 -0.491426D+01 -0.121529D+01  0.968821D+01  0.608412D+01
      2   0.263203D+01 -0.325360D+00  0.295108D+01 -0.613464D+01  0.109075D+02
      3   0.502873D+00 -0.473409D+01  0.129643D+01  0.108191D+01  0.602488D+01
               146           147           148           149           150 
      1  -0.421553D+01 -0.491750D+01 -0.411031D+01  0.282558D+01  0.155510D+01
      2  -0.167054D+01 -0.530675D+01 -0.491361D+01  0.198745D+01  0.290087D+01
      3  -0.631924D+00 -0.356642D+01  0.139536D+00  0.847300D+00  0.109289D+01
               151           152           153           154           155 
      1  -0.523781D+01  0.369687D+01  0.755293D+01  0.194552D+01  0.315017D+00
      2  -0.876789D+01  0.124511D+01  0.875586D+01 -0.205973D+01 -0.119215D+01
      3  -0.358926D+01  0.152710D+01  0.415427D+01 -0.448782D+01 -0.285144D+01
               156           157           158           159           160 
      1   0.341576D+01 -0.867197D-01 -0.122430D+01 -0.218049D+01  0.140319D+01
      2   0.373833D+01  0.225239D+01  0.575006D+00 -0.683967D+00 -0.194011D+01
      3  -0.496157D+00  0.248262D+01  0.284334D+01  0.187056D+00 -0.285430D+01
               161           162           163           164           165 
      1   0.117354D+00  0.397679D+01 -0.245065D+01 -0.479195D+01 -0.347769D+01
      2  -0.762725D+00  0.375816D+01  0.194186D+01  0.155384D+01  0.197516D+00
      3   0.110228D+00 -0.318255D+00  0.791831D+01  0.653509D+01  0.145760D+01
               166           167           168           169           170 
      1  -0.333166D+01 -0.988848D+01 -0.604144D+01 -0.238755D+01 -0.421387D+01
      2   0.103186D+01  0.205905D+01  0.173629D+00 -0.119688D+01  0.122539D+00
      3   0.761907D+01  0.142581D+02  0.246914D+01  0.412167D+01  0.748238D+01
               171           172           173           174           175 
      1  -0.463704D+01 -0.253411D+01 -0.266956D+01  0.257730D+01 -0.279695D+01
      2  -0.140752D+00 -0.142327D+01 -0.250809D+01  0.421430D+01 -0.306603D+01
      3   0.307737D+01 -0.392485D+01 -0.430978D+01  0.480478D+01 -0.349497D+01
               176           177           178           179           180 
      1  -0.755449D+01  0.399860D+01  0.368090D+01  0.656253D+01 -0.564724D+01
      2  -0.558392D+01  0.769973D+01  0.334144D+01  0.405607D+01 -0.116180D+02
      3  -0.110008D+02  0.793412D+01  0.474090D+01  0.848510D+01 -0.701106D+01
               181           182           183           184           185 
      1   0.734651D+00  0.633918D+00 -0.116324D+01  0.117634D-01  0.263669D+01
      2  -0.249005D+01 -0.570329D+01 -0.424734D+01 -0.311251D+01 -0.106762D+02
      3   0.467926D+01  0.644656D+01  0.507129D+01  0.307063D+01  0.174243D+02
               186           187           188           189           190 
      1  -0.232556D+01  0.667568D+00  0.207209D+01 -0.257201D+01  0.509098D+01
      2  -0.858418D+01 -0.173852D+01 -0.858831D+01 -0.103161D+02  0.120334D+02
      3   0.107601D+02  0.271546D+01  0.104592D+02  0.837804D+01  0.642190D+00
               191           192           193           194           195 
      1  -0.280189D+01  0.345376D+01 -0.309625D+01  0.185638D+01 -0.195349D+01
      2  -0.587202D+01  0.861492D+01 -0.503625D+01  0.228238D+01 -0.378717D+01
      3  -0.612979D+01  0.110973D+01 -0.318582D+01  0.554642D+01  0.762668D+00
               196           197           198           199           200 
      1   0.334154D+01 -0.532990D+00  0.240530D+01  0.253418D+00 -0.515189D+00
      2   0.762043D+01 -0.356246D+01  0.615763D+01  0.100340D+01  0.290625D+00
      3   0.239201D+01 -0.269518D+01  0.608869D+00  0.999279D+00  0.527613D-01
               201           202           203           204           205 
      1   0.684820D-01 -0.418811D+01  0.131905D+00 -0.112475D+01  0.473988D+00
      2  -0.648407D+00 -0.162218D+01 -0.227926D+01 -0.517245D-01 -0.444584D+01
      3   0.446817D+00  0.604766D+00  0.382116D+00  0.954020D+00  0.228376D+01
               206           207           208           209           210 
      1   0.287619D+01 -0.363774D+01  0.156415D+01  0.879014D-01  0.120569D-01
      2   0.677918D+00 -0.299187D+01  0.139436D+01 -0.344051D+00 -0.626893D+00
      3   0.164393D+01 -0.365846D-01 -0.304844D+01 -0.988049D+00 -0.828466D-01
               211           212           213           214           215 
      1  -0.625398D+01  0.540011D+00  0.127393D+00  0.198446D+01  0.447958D+01
      2   0.183254D+01  0.186213D+01  0.266995D+01 -0.332419D+01  0.254078D+01
      3   0.104635D+02  0.465815D-02 -0.205125D+01 -0.323974D+01 -0.271145D+01
               216           217           218           219           220 
      1   0.391074D+00 -0.345647D+00 -0.735979D+00 -0.236664D+00  0.240260D+01
      2   0.108403D+02 -0.149206D+01 -0.204298D+01  0.557806D+00 -0.762823D+00
      3  -0.323015D+01  0.877029D+00  0.337899D+01  0.224617D+01 -0.929467D+01
               221           222           223           224           225 
      1   0.616123D+01 -0.100253D+00  0.149725D+00  0.234820D+01  0.640314D-01
      2   0.101454D+02  0.778426D+01  0.395356D+01  0.619037D+01  0.810540D+01
      3  -0.349831D+02 -0.136737D+02 -0.153710D+01 -0.985050D+01 -0.721474D+01
               226           227           228           229           230 
      1  -0.242834D+00  0.655772D+00 -0.921310D+00  0.278087D+01 -0.310223D+01
      2  -0.583713D+00 -0.151742D+01  0.425551D+01 -0.528822D+01  0.901867D+01
      3   0.153888D+01 -0.294148D+01  0.234733D+01 -0.934615D+01  0.734438D+01
               231           232           233           234           235 
      1   0.284416D+01 -0.305430D+01  0.461556D+01 -0.503305D+01  0.162997D+01
      2  -0.127631D+02  0.103460D+02 -0.762096D+01  0.255913D+02 -0.168245D+02
      3  -0.119083D+02  0.552210D+01 -0.998631D+01  0.112186D+02  0.269249D+01
               236           237           238           239           240 
      1   0.367327D-01 -0.115990D+01  0.957788D+00  0.366533D+00 -0.523304D+00
      2  -0.878220D+00  0.118908D+02 -0.423546D+00 -0.744044D+00 -0.842122D+00
      3  -0.635506D+01 -0.560389D+00 -0.313204D+01 -0.993254D+00  0.406281D+00
               241           242           243 
      1  -0.127452D+01  0.912611D+00  0.746744D+00
      2   0.108827D+02 -0.297444D-01 -0.945058D+01
      3  -0.297640D+00  0.351093D+01  0.915489D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.980512D+01  0.839792D+01 -0.677938D+01  0.266260D+01  0.352994D+01
      2  -0.316201D+01 -0.183797D+02 -0.861077D+01 -0.115530D+02 -0.152257D+02
      3  -0.664312D+01  0.998173D+01  0.153901D+02  0.889038D+01  0.116958D+02
      4   0.158446D+02 -0.111658D+02  0.246621D+02 -0.702954D+01  0.853836D+01
      5  -0.198795D+02  0.206037D+02 -0.959994D+01  0.205377D+02  0.337140D+01
      6   0.158088D+02 -0.174732D+02  0.892798D+01 -0.116102D+02 -0.724091D+01
                 6             7             8             9            10 
      1   0.229512D+02 -0.624751D+01  0.229566D+02  0.214688D+01 -0.411967D+01
      2  -0.173469D+02 -0.102655D+02 -0.199360D+02  0.403266D+01  0.142782D+02
      3  -0.560433D+01  0.165130D+02 -0.302055D+01 -0.617953D+01 -0.101585D+02
      4  -0.714998D+01  0.250614D+02 -0.936773D+01  0.299232D+01 -0.190759D+02
      5   0.506734D+01 -0.871138D+01  0.933639D+01 -0.720478D+01  0.164987D+02
      6   0.405082D+01  0.755501D+01  0.222362D+01  0.240799D+01 -0.135149D+02
                11            12            13            14            15 
      1  -0.521839D+01  0.787948D+01 -0.105808D+02 -0.103779D+02 -0.255589D+02
      2   0.487411D+01 -0.834028D-01  0.520926D+01  0.153143D+02  0.120192D+02
      3   0.344279D+00 -0.779608D+01  0.537152D+01 -0.493639D+01  0.135397D+02
      4   0.595167D+01 -0.220707D+02  0.910318D+01 -0.267162D+02 -0.105883D+02
      5  -0.193061D+02 -0.767493D+01 -0.227712D+02 -0.197266D+02 -0.959921D+00
      6   0.121371D+02 -0.195888D+01 -0.283304D+01  0.224426D+01 -0.756012D+01
                16            17            18            19            20 
      1   0.583048D+01 -0.235296D+02 -0.787869D+01  0.546843D+02  0.108599D+02
      2   0.957400D+01  0.145870D+02 -0.159319D+01 -0.555693D+02 -0.157078D+02
      3  -0.154045D+02  0.894262D+01  0.947188D+01  0.884955D+00  0.484790D+01
      4  -0.323338D+02 -0.217485D+01  0.626798D+00  0.148482D+01 -0.149968D+02
      5  -0.941125D+01  0.328422D+00  0.448351D+01  0.570046D+01  0.384656D+01
      6  -0.240507D+01 -0.422089D+01 -0.101990D+00  0.103596D+02 -0.273638D+01
                21            22            23            24            25 
      1   0.308901D+01  0.244418D+02  0.635661D+01  0.580143D+01  0.387989D+01
      2  -0.181365D+01 -0.226200D+02 -0.140628D+02  0.191139D+01 -0.850662D+01
      3  -0.127536D+01 -0.182177D+01  0.770619D+01 -0.771282D+01  0.462673D+01
      4   0.515380D+01 -0.392367D+02 -0.375815D+01 -0.214613D+01  0.142628D+02
      5   0.460707D+01  0.365067D+01  0.318659D+01  0.526699D+01  0.667338D+01
      6   0.282899D+01  0.828837D+01  0.619901D+01  0.137946D+01  0.294481D+01
                26            27            28            29            30 
      1   0.108996D+02  0.183277D+02 -0.130401D+03 -0.737132D+01  0.790272D+01
      2  -0.412544D+01  0.688858D+01  0.969012D+02  0.583165D+01 -0.392057D+01
      3  -0.677416D+01 -0.252163D+02  0.335003D+02  0.153967D+01 -0.398216D+01
      4  -0.866126D+01  0.777447D+01  0.472591D+01 -0.108511D+02  0.211074D+01
      5   0.531306D+01  0.720852D+01 -0.718717D+01  0.207381D+01 -0.131571D+02
      6   0.818377D+00 -0.716747D-01 -0.146714D+02 -0.686803D+01  0.213431D+01
                31            32            33            34            35 
      1  -0.323793D+02 -0.240081D+02  0.730525D+01 -0.281198D+02  0.160275D+01
      2   0.268652D+02  0.231219D+02 -0.553348D+01  0.176641D+02 -0.252208D+01
      3   0.551409D+01  0.886139D+00 -0.177178D+01  0.104557D+02  0.919332D+00
      4  -0.388558D+01 -0.724120D+01  0.162316D+01 -0.195960D+01  0.526093D+00
      5  -0.598900D+00 -0.316442D+00 -0.261941D+01 -0.982541D-01  0.160777D+01
      6  -0.451869D+01 -0.729236D+01  0.504649D+01 -0.109863D+01 -0.688558D-01
                36            37            38            39            40 
      1  -0.347608D+01  0.148501D+03  0.109929D+02 -0.931798D+01  0.319369D+02
      2  -0.324442D+01 -0.107865D+03 -0.686168D+01  0.649998D+01 -0.166535D+02
      3   0.672050D+01 -0.406363D+02 -0.413123D+01  0.281800D+01 -0.152833D+02
      4   0.175868D+01 -0.326837D+01  0.176001D+02 -0.867340D+00  0.311503D+02
      5   0.249544D+01 -0.556452D+01 -0.220609D+01  0.222776D+02 -0.318243D+01
      6  -0.489086D+01  0.168523D+02  0.672534D+01 -0.329147D+01  0.114473D+02
                41            42            43            44            45 
      1   0.645284D+00  0.298604D+01  0.361514D+02  0.104486D+02  0.133298D+02
      2   0.462526D+01  0.285710D+01 -0.220240D+02 -0.422003D+01 -0.675146D+00
      3  -0.527054D+01 -0.584314D+01 -0.141274D+02 -0.622858D+01 -0.126547D+02
      4   0.656029D+01  0.363900D+01 -0.716328D+00  0.422740D+01 -0.691780D+01
      5   0.402730D+01 -0.434590D+01  0.277540D+02 -0.484189D+01 -0.863643D+01
      6   0.112717D+01  0.472713D+01 -0.241319D+01  0.418303D+01 -0.597836D+01
                46            47            48            49            50 
      1  -0.585328D+02 -0.662618D+01 -0.168075D+02 -0.520047D+00 -0.326182D+01
      2   0.435840D+02 -0.175315D+01  0.576426D+01 -0.523396D+01  0.655504D+01
      3   0.149488D+02  0.837933D+01  0.110432D+02  0.575401D+01 -0.329323D+01
      4  -0.992028D+01 -0.189579D+02 -0.714168D+01  0.320473D+01  0.168575D+01
      5  -0.916965D+01 -0.433970D+01 -0.207613D+02 -0.268513D+02  0.525388D+01
      6  -0.124362D+02 -0.299326D+01 -0.127290D+01  0.238377D+01 -0.427067D+01
                51            52            53            54            55 
      1  -0.113528D+02  0.399042D+02 -0.706409D+01 -0.196367D+02  0.270168D+02
      2   0.117613D+02 -0.432607D+02  0.402405D+00  0.229477D+02 -0.160054D+02
      3  -0.408508D+00  0.335648D+01  0.666168D+01 -0.331095D+01 -0.110114D+02
      4   0.664270D+01 -0.278013D+02  0.570351D+01  0.921884D+01 -0.647472D+01
      5   0.635671D+01 -0.641284D+02  0.399636D+01  0.454817D+02 -0.176213D+02
      6   0.419365D+01  0.131118D+02 -0.658315D+01 -0.729544D+01  0.199537D+01
                56            57            58            59            60 
      1  -0.281471D+01 -0.886501D+01 -0.233955D+02 -0.309271D+00  0.441917D+01
      2   0.295594D+01  0.637375D+01  0.152881D+02  0.655272D+00 -0.417449D+01
      3  -0.141231D+00  0.249126D+01  0.810742D+01 -0.346001D+00 -0.244678D+00
      4   0.131640D+02  0.557798D+01  0.225105D+02 -0.139798D+02 -0.210109D+02
      5   0.470792D+01  0.221365D+02  0.192939D+02 -0.205485D+02 -0.105907D+02
      6  -0.119521D+01 -0.126276D+01 -0.110587D+02  0.802736D+01  0.134564D+02
                61            62            63            64            65 
      1  -0.733980D+02 -0.230592D+01  0.486812D+01 -0.347529D+02  0.213327D+02
      2   0.588091D+02  0.205904D+01 -0.339137D+02  0.770338D+01 -0.449150D+01
      3   0.145888D+02  0.246875D+00  0.290456D+02  0.270495D+02 -0.168412D+02
      4   0.148601D+02 -0.157646D+02 -0.138113D+02  0.252447D+02 -0.672646D+01
      5   0.722301D+02 -0.781802D+01 -0.768884D+02 -0.163363D+02  0.244765D+02
      6  -0.119879D+02  0.150655D+02  0.921729D+01  0.890127D+01 -0.111125D+02
                66            67            68            69            70 
      1  -0.118141D+02  0.149904D+02  0.443353D+01  0.365272D+02 -0.238634D+02
      2  -0.116212D+01  0.222580D+01 -0.495656D+00 -0.265888D+02  0.130750D+01
      3   0.129763D+02 -0.172163D+02 -0.393787D+01 -0.993841D+01  0.225559D+02
      4   0.295930D+02 -0.134308D+02  0.883112D+01  0.133323D+02  0.367952D+02
      5   0.772388D+01  0.249591D+02  0.189999D+02 -0.137683D+02  0.476438D+01
      6  -0.895446D+01 -0.635183D+01 -0.119710D+02 -0.893735D+01 -0.732283D+01
                71            72            73            74            75 
      1   0.373698D+02  0.294706D+01 -0.558980D+02 -0.174465D+02 -0.142751D+02
      2  -0.267332D+02  0.133452D+01  0.243766D+02  0.981509D+01 -0.333979D+01
      3  -0.106367D+02 -0.428158D+01  0.315214D+02  0.763145D+01  0.176149D+02
      4   0.845696D+01 -0.578140D+01 -0.235638D+02  0.268316D+01 -0.363965D+01
      5  -0.983639D+01  0.772472D+01 -0.186731D+02 -0.419198D+01  0.103073D+02
      6  -0.941841D+01 -0.890337D+00 -0.370890D+01 -0.473256D+01  0.599356D+01
                76            77            78            79            80 
      1  -0.146421D+02  0.123979D+02 -0.316912D+01 -0.215842D+01 -0.271647D+01
      2   0.113455D+02 -0.730904D+01  0.109805D+02 -0.627698D+01  0.832516D+01
      3   0.329665D+01 -0.508891D+01 -0.781133D+01  0.843540D+01 -0.560869D+01
      4   0.111526D+02  0.274848D+02  0.158535D+02  0.179426D+00  0.740843D+01
      5  -0.606979D+01  0.236458D+02 -0.438924D+01  0.129680D+02 -0.699793D+01
      6   0.542301D+01  0.949210D+01  0.116840D+01  0.494642D+01 -0.688212D+00
                81            82            83            84            85 
      1   0.228091D+02 -0.143428D+02 -0.117062D+02 -0.945858D+01 -0.124241D+02
      2  -0.184792D+01  0.213842D+02  0.279492D+02  0.152874D+02  0.246300D+02
      3  -0.209612D+02 -0.704146D+01 -0.162430D+02 -0.582883D+01 -0.122059D+02
      4  -0.352827D+01  0.100650D+02  0.102202D+02  0.117855D+02  0.238736D+02
      5  -0.122847D+02  0.242947D+01  0.125406D+02 -0.166843D+02  0.138018D+02
      6  -0.871800D+01  0.185380D+01  0.142122D+02 -0.137402D+02  0.611891D+01
                86            87            88            89            90 
      1   0.126928D+02  0.106695D+02 -0.329952D+02  0.106223D+02 -0.952897D+01
      2  -0.136548D+02 -0.910625D+01  0.353433D+02 -0.846533D+01  0.564524D+01
      3   0.961956D+00 -0.156323D+01 -0.234806D+01 -0.215698D+01  0.388373D+01
      4   0.894584D+01  0.673486D+01  0.241232D+02  0.140200D+02 -0.107933D+02
      5  -0.424836D+00  0.132102D+00 -0.225783D+02 -0.609471D+01  0.510383D+01
      6  -0.631907D+01 -0.303539D+01 -0.184293D+02 -0.626762D+01  0.791863D+01
                91            92            93            94            95 
      1  -0.142018D+02  0.920134D+01  0.443150D+02  0.210538D+02  0.117721D+02
      2   0.555516D+01 -0.253205D+01 -0.211931D+02 -0.176293D+02 -0.104814D+02
      3   0.864668D+01 -0.666929D+01 -0.231219D+02 -0.342447D+01 -0.129064D+01
      4   0.160370D+02  0.148447D+02  0.130240D+02 -0.696204D+01 -0.308456D+02
      5   0.512974D+02  0.121375D+02 -0.270803D+00  0.148497D+02 -0.283995D+02
      6   0.725001D+01  0.493896D+01  0.290097D+01 -0.428208D+01 -0.105630D+02
                96            97            98            99           100 
      1   0.117369D+02  0.610735D+02  0.107140D+02 -0.213308D+02  0.897804D+02
      2  -0.175171D+02 -0.286562D+02 -0.131825D+02  0.159203D+02 -0.447752D+02
      3   0.578016D+01 -0.324173D+02  0.246850D+01  0.541049D+01 -0.450052D+02
      4  -0.305022D+02  0.139678D+02 -0.234035D+02  0.116402D+02  0.351605D+02
      5   0.190064D+02 -0.262982D+02  0.119362D+02 -0.303869D+02  0.283527D+02
      6  -0.969192D+01  0.402624D+01 -0.553875D+01  0.628847D+01  0.768783D+01
               101           102           103           104           105 
      1   0.154171D+02  0.148508D+02  0.601346D+01  0.698840D+01  0.106363D+01
      2  -0.475905D+01 -0.922505D+01 -0.919737D-01  0.926485D+00 -0.114568D+01
      3  -0.106580D+02 -0.562578D+01 -0.592149D+01 -0.791488D+01  0.820505D-01
      4   0.192820D+02  0.788249D+01  0.162004D+02  0.691700D+01  0.250902D+01
      5   0.666336D+01  0.155260D+02  0.323606D+01  0.188044D+01  0.175242D+01
      6   0.455035D+01  0.422046D+01  0.311946D+01  0.539306D+00  0.234804D+01
               106           107           108           109           110 
      1   0.204794D+01  0.910598D+00  0.536937D+01  0.182338D+01  0.474159D+01
      2  -0.270315D+01 -0.231532D+01 -0.557988D+01 -0.330538D+01 -0.283742D+01
      3   0.655206D+00  0.140472D+01  0.210515D+00  0.148200D+01 -0.190417D+01
      4   0.202639D+01 -0.773005D+00  0.483858D+01  0.223046D+01 -0.207984D+01
      5   0.121125D+02  0.387700D+01  0.720479D+01  0.352958D+01  0.116857D+00
      6   0.325399D+01  0.193841D+01  0.316394D+01  0.302582D+01 -0.269780D+01
               111           112           113           114           115 
      1   0.106506D+02  0.179351D+01 -0.662961D+01 -0.331861D+01  0.734553D+01
      2   0.421510D+00 -0.123459D+01  0.234425D+01  0.124301D+01 -0.450704D+01
      3  -0.110721D+02 -0.558915D+00  0.428536D+01  0.207560D+01 -0.283849D+01
      4   0.115638D+01  0.179569D+01  0.995057D+00  0.275473D+01  0.342143D+01
      5  -0.402850D+01  0.142537D+01  0.156926D+01  0.363545D+01  0.609522D+01
      6  -0.491099D+01 -0.762979D+00  0.430985D+01  0.984041D+01  0.129502D+01
               116           117           118           119           120 
      1  -0.605774D+01 -0.243149D+02  0.233693D+00  0.305236D+00 -0.218430D+01
      2   0.511806D+00 -0.126633D+02 -0.426552D+01 -0.410714D+00 -0.818514D+00
      3   0.554593D+01  0.369782D+02  0.403182D+01  0.105478D+00  0.300281D+01
      4   0.742755D+01  0.736987D+01 -0.901144D+00  0.286627D+01  0.172567D+00
      5   0.832251D+01  0.339789D+02  0.399810D+00  0.113112D+01  0.732326D+01
      6   0.968953D+01  0.201165D+02  0.668075D+00  0.390650D+00 -0.339499D+00
               121           122           123           124           125 
      1   0.136681D+01 -0.695906D+01 -0.423654D+01 -0.180457D+01 -0.133604D+01
      2  -0.978019D+00  0.266627D+01 -0.208450D+01  0.106649D+01 -0.235476D+01
      3  -0.388796D+00  0.429279D+01  0.632105D+01  0.738073D+00  0.369081D+01
      4   0.135379D+01 -0.216205D+01 -0.152221D+01 -0.405663D+00 -0.225010D+01
      5   0.120712D+01 -0.196500D+01 -0.279470D+01  0.559446D+01 -0.183070D+01
      6   0.399178D+00  0.892372D+00  0.661172D+01 -0.733024D+00  0.534948D+01
               126           127           128           129           130 
      1  -0.263526D+02 -0.656381D+01  0.201879D+02  0.253870D+01  0.107842D+02
      2  -0.134786D+02  0.861769D+01 -0.282522D+02 -0.349505D+01 -0.136841D+02
      3   0.398313D+02 -0.205388D+01  0.806431D+01  0.956355D+00  0.289988D+01
      4  -0.366855D+01 -0.385383D+01  0.169914D+01 -0.555133D+00  0.589187D+01
      5  -0.121521D+02  0.562880D+00 -0.112963D+01  0.144871D+01 -0.112675D+01
      6  -0.102130D+01  0.138312D+01 -0.294376D+01 -0.230291D+01 -0.110097D+01
               131           132           133           134           135 
      1  -0.369793D+02 -0.358926D+01  0.554938D+01 -0.102552D+02 -0.545183D+01
      2   0.567609D+02  0.511024D+01 -0.531400D+01  0.141446D+02  0.633135D+01
      3  -0.197817D+02 -0.152098D+01 -0.235382D+00 -0.388938D+01 -0.879516D+00
      4   0.101174D+02 -0.174856D-01  0.411734D+00  0.289500D+01  0.264337D+01
      5   0.982104D+00  0.233305D+01  0.353470D+01  0.312127D+01  0.931195D+00
      6   0.482294D+01  0.787040D+01  0.795056D+00  0.104258D+02  0.352710D+01
               136           137           138           139           140 
      1   0.116629D+02  0.149410D+01 -0.243258D+01  0.356130D+01 -0.640198D+01
      2  -0.374945D+01  0.310445D+01 -0.952387D+00  0.176351D+00  0.122441D+02
      3  -0.791344D+01 -0.459855D+01  0.338497D+01 -0.373765D+01 -0.584211D+01
      4   0.183994D+02  0.159379D+02 -0.121402D+02  0.121306D+02  0.141543D+02
      5  -0.162363D+02 -0.103367D+02  0.169140D+02 -0.675630D+01 -0.985455D+01
      6  -0.103248D+02 -0.946308D+01  0.114424D+02 -0.768048D+01 -0.111911D+02
               141           142           143           144           145 
      1   0.264330D+01  0.201488D+01  0.715482D+01 -0.623699D+01 -0.706836D+01
      2  -0.471827D+01 -0.464517D+01 -0.925982D+01  0.573724D+00 -0.334428D+01
      3   0.207496D+01  0.263029D+01  0.210500D+01  0.566326D+01  0.104126D+02
      4  -0.103605D+02 -0.197716D+02 -0.177319D+02  0.167005D+02  0.648006D+01
      5   0.838145D+01  0.201105D+02  0.147588D+02 -0.237480D+02 -0.209355D+01
      6   0.106005D+02  0.161536D+02  0.178733D+02 -0.229635D+02 -0.376245D+01
               146           147           148           149           150 
      1  -0.381579D+01  0.112823D+02  0.109284D+01 -0.221763D+01 -0.599773D+01
      2   0.624939D+01  0.373241D+01  0.317648D+01  0.143706D+00 -0.125633D+01
      3  -0.243360D+01 -0.150147D+02 -0.426931D+01  0.207393D+01  0.725406D+01
      4  -0.546731D+00 -0.640061D+01 -0.175875D+01  0.248270D+01  0.178269D+01
      5  -0.130963D+01  0.154718D+01 -0.115473D+01 -0.466733D+00  0.284483D+01
      6  -0.185679D+01  0.587391D+01 -0.123498D+01  0.230151D+01  0.939282D+00
               151           152           153           154           155 
      1   0.886806D+01 -0.967858D+00 -0.170947D+02  0.160904D+02 -0.229700D+01
      2   0.388884D+01 -0.198830D+01 -0.794807D+01 -0.777902D+01 -0.289935D+01
      3  -0.127569D+02  0.295615D+01  0.250428D+02 -0.831141D+01  0.519635D+01
      4  -0.812318D+01  0.282132D+01  0.481998D+01 -0.294761D+02  0.237257D+02
      5   0.376006D+01 -0.151428D+01  0.386613D+01  0.262553D+02 -0.157074D+02
      6   0.288280D+01  0.426788D+01 -0.944145D+01 -0.146708D+02  0.143551D+02
               156           157           158           159           160 
      1   0.271340D+01 -0.176553D+01 -0.364773D+01  0.149615D+01  0.411255D+01
      2  -0.395295D+01 -0.178624D+01  0.984258D+01 -0.198563D+01 -0.456456D+01
      3   0.123955D+01  0.355177D+01 -0.619485D+01  0.489486D+00  0.452012D+00
      4  -0.179593D+02  0.165089D+02 -0.176137D+02  0.111899D+02 -0.146803D+02
      5   0.217543D+02 -0.985862D+01  0.989680D+01 -0.851222D+01  0.178402D+02
      6  -0.142077D+02  0.980254D+01 -0.117939D+02  0.103781D+02 -0.110279D+02
               161           162           163           164           165 
      1   0.158823D+01 -0.257449D+01 -0.662407D+01 -0.122199D+02 -0.392196D-01
      2  -0.408365D+00 -0.473830D+01  0.865286D+01  0.180904D+02  0.363123D+01
      3  -0.117986D+01  0.731280D+01 -0.202880D+01 -0.587050D+01 -0.359201D+01
      4   0.114329D+02 -0.135860D+02  0.205727D+01  0.366870D+01 -0.105887D+01
      5  -0.119519D+02  0.193125D+02 -0.727311D+00 -0.432148D+01  0.201599D+00
      6   0.119500D+02 -0.152423D+02 -0.723019D+00 -0.103351D+00  0.258929D+01
               166           167           168           169           170 
      1  -0.698087D+01 -0.254201D+02 -0.317839D+01 -0.295402D+01 -0.117549D+02
      2   0.106931D+02  0.419823D+02  0.768839D+01  0.477538D+01  0.181214D+02
      3  -0.371222D+01 -0.165622D+02 -0.451000D+01 -0.182136D+01 -0.636649D+01
      4   0.502491D+01 -0.876984D+01  0.629687D+00  0.354510D+00 -0.436282D+01
      5  -0.431663D+01 -0.496809D+01 -0.404253D+01  0.139537D+00 -0.402627D+01
      6   0.794413D+00 -0.226466D+01  0.640645D+01  0.101168D+01  0.527996D+01
               171           172           173           174           175 
      1  -0.482971D+01  0.179671D+02  0.455087D+01 -0.861550D+01  0.140043D+02
      2   0.604642D+01 -0.123972D+02 -0.547026D+01  0.982762D+01 -0.124340D+02
      3  -0.121671D+01 -0.556987D+01  0.919392D+00 -0.121212D+01 -0.157029D+01
      4  -0.110055D+01  0.250009D+01  0.712067D+01 -0.654247D+01  0.784822D+01
      5  -0.276819D+01 -0.137288D+02 -0.904071D+01  0.139367D+02 -0.168153D+02
      6   0.520504D+01 -0.185266D+01 -0.717217D+00  0.122560D+01 -0.106626D+01
               176           177           178           179           180 
      1   0.444146D+01 -0.972680D+01 -0.929442D+01 -0.661041D+01  0.572916D+01
      2  -0.649536D+01  0.140201D+02  0.127375D+02  0.106176D+02 -0.177271D+02
      3   0.205390D+01 -0.429326D+01 -0.344311D+01 -0.400714D+01  0.119979D+02
      4   0.158548D+02 -0.106592D+02 -0.665320D+01 -0.108097D+02  0.849185D+01
      5  -0.129812D+02  0.201545D+02  0.198208D+02  0.120542D+02 -0.300829D+02
      6  -0.502034D+01  0.408292D+01  0.856174D+00  0.592839D+01 -0.101753D+01
               181           182           183           184           185 
      1  -0.286308D+01 -0.134431D+02 -0.788429D+01 -0.952718D+01 -0.214489D+02
      2   0.284221D+01  0.969606D+01  0.331460D+01  0.393302D+01  0.218720D+02
      3   0.208639D-01  0.374705D+01  0.456969D+01  0.559415D+01 -0.423077D+00
      4  -0.148414D+01 -0.403854D+01 -0.507801D+01  0.726720D+01 -0.251571D+02
      5   0.184196D+01 -0.411977D+01 -0.419983D+01  0.236064D+01 -0.143212D+02
      6   0.211853D+01  0.803346D+01  0.706950D+01 -0.375747D+00  0.214985D+02
               186           187           188           189           190 
      1  -0.156988D+02 -0.351545D+01 -0.160969D+02 -0.139585D+02  0.746271D+02
      2   0.961565D+01  0.260200D+01  0.925387D+01  0.262683D+01 -0.291689D+02
      3   0.608314D+01  0.913451D+00  0.684304D+01  0.113316D+02 -0.454582D+02
      4  -0.144465D+02 -0.908664D-01 -0.135323D+02 -0.103706D+02 -0.419147D+02
      5  -0.115657D+02  0.454949D+01 -0.102856D+02 -0.156544D+02  0.185145D+01
      6   0.169780D+02  0.474546D+00  0.163025D+02  0.160756D+02 -0.124525D+01
               191           192           193           194           195 
      1  -0.218197D+02  0.102852D+02 -0.209635D+02  0.108209D+02 -0.540864D+01
      2   0.391181D+01 -0.179208D+01  0.245858D+01  0.123878D+01  0.132540D+01
      3   0.179079D+02 -0.849314D+01  0.185049D+02 -0.120597D+02  0.408324D+01
      4   0.231768D+02 -0.712223D+01  0.268170D+02 -0.200165D+02  0.259051D+01
      5  -0.245559D+01  0.110773D+02 -0.181725D+01 -0.324817D+00 -0.338234D+01
      6   0.277532D+00 -0.301599D+01 -0.141496D+00  0.113166D+01  0.404456D+01
               196           197           198           199           200 
      1   0.297572D+02 -0.105718D+02  0.916048D+01 -0.248661D+00 -0.107716D+01
      2  -0.928687D+01  0.205268D+01 -0.381167D+01  0.146332D+01  0.723749D+00
      3  -0.204704D+02  0.851915D+01 -0.534881D+01 -0.121466D+01  0.353414D+00
      4  -0.208411D+02  0.116498D+02 -0.651753D+01  0.165127D+00  0.130984D+01
      5   0.104605D+02 -0.395697D+01  0.888814D+01 -0.102491D+01  0.436658D+00
      6  -0.338877D+01  0.342325D+01 -0.360259D+01  0.106668D+01  0.575302D-01
               201           202           203           204           205 
      1  -0.142910D+01 -0.267861D+01 -0.974255D+00 -0.451396D+01 -0.650514D+01
      2   0.107229D+01 -0.170459D+01  0.459510D+00  0.250829D+01  0.312997D+01
      3   0.356812D+00  0.438320D+01  0.514745D+00  0.200567D+01  0.337516D+01
      4   0.822766D+00  0.204864D+00 -0.136642D+01 -0.205649D+01  0.787621D+00
      5   0.136798D+01  0.320407D+00 -0.130479D+01 -0.554965D+00  0.609867D+00
      6   0.158133D+00 -0.979165D+00  0.328444D+01  0.317154D+01  0.113795D+01
               206           207           208           209           210 
      1  -0.588584D+01 -0.127408D+02  0.275252D+01  0.224476D+01  0.580419D+01
      2   0.395453D+01  0.228730D+01 -0.355862D+01 -0.121747D+01 -0.218568D+01
      3   0.193131D+01  0.104535D+02  0.806103D+00 -0.102729D+01 -0.361851D+01
      4  -0.125963D+01 -0.251595D+01  0.276976D+01  0.145752D+01  0.165903D+01
      5  -0.163885D+01 -0.450301D+01  0.547940D+01  0.181563D+01  0.492470D+01
      6   0.480062D+01  0.712160D+01  0.169375D+01 -0.159530D+00  0.553644D+00
               211           212           213           214           215 
      1   0.204100D+01 -0.370707D+01 -0.395127D+01  0.111243D+01 -0.475321D+01
      2  -0.398915D+01  0.214183D+00 -0.171529D+01 -0.330137D+01 -0.393815D+00
      3   0.194815D+01  0.349289D+01  0.566656D+01  0.218895D+01  0.514702D+01
      4  -0.246806D+01  0.119096D+01  0.220738D+01  0.299058D+01  0.311144D+01
      5   0.454568D+01  0.304830D+01  0.641116D+01  0.735799D+01  0.528150D+01
      6  -0.151000D+01  0.255286D+01  0.409917D+01  0.227709D+01  0.594478D+01
               216           217           218           219           220 
      1  -0.203179D+02  0.487515D+01  0.822848D+01 -0.616235D-01  0.222583D+02
      2  -0.811720D+01 -0.147066D+01 -0.572192D+01 -0.195103D+00 -0.613283D+01
      3   0.284351D+02 -0.340448D+01 -0.250656D+01  0.256726D+00 -0.161255D+02
      4   0.403109D+01  0.300305D+01 -0.367640D+00 -0.166392D+01  0.239068D+02
      5   0.213638D+02 -0.227476D+01 -0.975638D+00  0.151346D+00  0.102441D+02
      6   0.610913D+01  0.197740D+01 -0.141523D+01 -0.166426D+01  0.573442D+01
               221           222           223           224           225 
      1  -0.825460D+01 -0.295782D+01  0.816535D+01 -0.370907D+01  0.192409D+01
      2   0.214703D+02  0.487995D+01 -0.467091D+01  0.303544D+01 -0.203366D+01
      3  -0.132157D+02 -0.192213D+01 -0.349444D+01  0.673627D+00  0.109573D+00
      4   0.611873D+02  0.229654D+02  0.458874D+01  0.176708D+02  0.120477D+02
      5   0.214940D+02  0.157415D+02  0.150320D+02  0.122922D+02  0.188170D+02
      6   0.181226D+02  0.120360D+02  0.253087D+01  0.104099D+02  0.684359D+01
               226           227           228           229           230 
      1   0.183118D+02 -0.627265D+01  0.677768D+01 -0.206159D+02  0.256978D+01
      2  -0.125180D+02  0.403494D+01 -0.539076D+01  0.137656D+02 -0.225120D+01
      3  -0.579381D+01  0.223771D+01 -0.138692D+01  0.685031D+01 -0.318585D+00
      4  -0.698758D+01  0.442417D+01 -0.548992D+01  0.148959D+02 -0.146499D+02
      5   0.900056D+01 -0.619422D+01  0.117947D+02 -0.184954D+02  0.196718D+02
      6  -0.280534D+01  0.575923D+00 -0.819255D+00  0.528344D+01 -0.608119D+01
               231           232           233           234           235 
      1  -0.652299D+01  0.252452D+02  0.128356D+00  0.110876D+02  0.983471D+02
      2   0.105477D+02 -0.196796D+02  0.540240D+01 -0.230472D+02 -0.468559D+02
      3  -0.402473D+01 -0.556560D+01 -0.553075D+01  0.119596D+02 -0.514912D+02
      4   0.209103D+02 -0.506110D+01  0.198226D+02 -0.170187D+02  0.666667D+01
      5  -0.272867D+02  0.362767D+02 -0.156395D+02  0.571455D+02 -0.196530D+02
      6   0.932075D+01 -0.318728D+01  0.724344D+01 -0.708064D+01 -0.292660D+01
               236           237           238           239           240 
      1   0.205882D+01 -0.240855D+02 -0.547030D+01  0.915255D+01 -0.535624D+00
      2   0.114912D+00  0.101863D+02  0.384337D+01 -0.286921D+01  0.939520D+00
      3  -0.217373D+01  0.138993D+02  0.162693D+01 -0.628334D+01 -0.403896D+00
      4   0.127923D+02 -0.269412D+01  0.145765D+02  0.324451D+01 -0.187561D+01
      5  -0.173925D+01  0.173594D+02 -0.617735D+00 -0.142546D+01 -0.227126D+01
      6   0.213666D+00  0.182250D+01 -0.258698D+00  0.638499D+00  0.247753D+01
               241           242           243 
      1  -0.522217D+02 -0.289793D+01  0.206891D+02
      2   0.247446D+02  0.131947D+01 -0.115505D+02
      3   0.274771D+02  0.157846D+01 -0.913863D+01
      4  -0.539300D+01 -0.708241D+01  0.655632D+00
      5   0.241875D+02  0.121209D+00 -0.166665D+02
      6   0.265459D+01  0.186216D+01 -0.250262D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:29:39 2021, MaxMem=  5368709120 cpu:           16275.2 elap:            2039.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.12933 -10.27060 -10.20489 -10.20191 -10.19485
 Alpha  occ. eigenvalues --  -10.18864 -10.18757 -10.18666 -10.18136 -10.17984
 Alpha  occ. eigenvalues --  -10.17455  -1.04116  -0.87415  -0.80052  -0.75612
 Alpha  occ. eigenvalues --   -0.74471  -0.69611  -0.68074  -0.62113  -0.59872
 Alpha  occ. eigenvalues --   -0.53982  -0.52416  -0.48450  -0.48023  -0.46245
 Alpha  occ. eigenvalues --   -0.45131  -0.44369  -0.43904  -0.42242  -0.41124
 Alpha  occ. eigenvalues --   -0.39823  -0.39493  -0.38847  -0.36974  -0.36652
 Alpha  occ. eigenvalues --   -0.36197  -0.34990  -0.32382  -0.31216  -0.30430
 Alpha  occ. eigenvalues --   -0.26451  -0.25064
 Alpha virt. eigenvalues --   -0.05999  -0.01376  -0.00484   0.00211   0.00492
 Alpha virt. eigenvalues --    0.01641   0.01812   0.02269   0.02540   0.03077
 Alpha virt. eigenvalues --    0.03803   0.03954   0.04114   0.05357   0.05617
 Alpha virt. eigenvalues --    0.05972   0.06609   0.06677   0.06705   0.07032
 Alpha virt. eigenvalues --    0.07678   0.08291   0.08696   0.09157   0.09761
 Alpha virt. eigenvalues --    0.10114   0.10422   0.10479   0.10661   0.11048
 Alpha virt. eigenvalues --    0.11212   0.11454   0.11712   0.11960   0.12049
 Alpha virt. eigenvalues --    0.12544   0.12917   0.13412   0.13661   0.14053
 Alpha virt. eigenvalues --    0.14111   0.14435   0.15025   0.15260   0.15699
 Alpha virt. eigenvalues --    0.15794   0.16216   0.16608   0.16810   0.17437
 Alpha virt. eigenvalues --    0.18338   0.18806   0.19202   0.19594   0.20193
 Alpha virt. eigenvalues --    0.20647   0.21099   0.21668   0.22080   0.22613
 Alpha virt. eigenvalues --    0.23621   0.23790   0.24257   0.24772   0.24907
 Alpha virt. eigenvalues --    0.25636   0.25885   0.26067   0.26640   0.27410
 Alpha virt. eigenvalues --    0.27786   0.28031   0.28222   0.29177   0.30112
 Alpha virt. eigenvalues --    0.30338   0.30581   0.30822   0.31252   0.31820
 Alpha virt. eigenvalues --    0.32400   0.32917   0.34083   0.34401   0.34626
 Alpha virt. eigenvalues --    0.35412   0.35650   0.36068   0.36298   0.36652
 Alpha virt. eigenvalues --    0.37151   0.37428   0.37502   0.37739   0.38323
 Alpha virt. eigenvalues --    0.39127   0.39467   0.39733   0.40084   0.40994
 Alpha virt. eigenvalues --    0.41641   0.42108   0.42745   0.44011   0.44413
 Alpha virt. eigenvalues --    0.44575   0.45238   0.45970   0.46144   0.47004
 Alpha virt. eigenvalues --    0.47523   0.48005   0.48432   0.48752   0.49336
 Alpha virt. eigenvalues --    0.49626   0.50450   0.51303   0.51502   0.52025
 Alpha virt. eigenvalues --    0.52837   0.53223   0.53753   0.54004   0.54407
 Alpha virt. eigenvalues --    0.54554   0.54950   0.55455   0.56668   0.56861
 Alpha virt. eigenvalues --    0.57437   0.57670   0.58221   0.58472   0.59060
 Alpha virt. eigenvalues --    0.59209   0.60469   0.60939   0.61356   0.61890
 Alpha virt. eigenvalues --    0.62419   0.63227   0.63504   0.63906   0.64467
 Alpha virt. eigenvalues --    0.65066   0.66298   0.66425   0.66777   0.67355
 Alpha virt. eigenvalues --    0.67551   0.68088   0.69001   0.69355   0.69895
 Alpha virt. eigenvalues --    0.69996   0.70753   0.71337   0.72301   0.72394
 Alpha virt. eigenvalues --    0.73188   0.73470   0.74458   0.75575   0.75791
 Alpha virt. eigenvalues --    0.76172   0.76987   0.77209   0.78906   0.79176
 Alpha virt. eigenvalues --    0.80063   0.80261   0.80905   0.82415   0.82981
 Alpha virt. eigenvalues --    0.83301   0.84198   0.85170   0.86356   0.87114
 Alpha virt. eigenvalues --    0.88173   0.88693   0.90474   0.91125   0.91928
 Alpha virt. eigenvalues --    0.92201   0.93083   0.94628   0.95889   0.96797
 Alpha virt. eigenvalues --    0.97406   0.98671   0.99289   1.00336   1.01927
 Alpha virt. eigenvalues --    1.02782   1.04109   1.04896   1.06427   1.06749
 Alpha virt. eigenvalues --    1.07154   1.08343   1.09843   1.10500   1.13978
 Alpha virt. eigenvalues --    1.15834   1.16379   1.17925   1.18492   1.18892
 Alpha virt. eigenvalues --    1.21307   1.22069   1.23756   1.25665   1.26942
 Alpha virt. eigenvalues --    1.27350   1.28437   1.29394   1.31660   1.32926
 Alpha virt. eigenvalues --    1.34754   1.35004   1.37897   1.39391   1.41024
 Alpha virt. eigenvalues --    1.41944   1.43078   1.45604   1.47338   1.47851
 Alpha virt. eigenvalues --    1.48408   1.50040   1.50802   1.51614   1.52403
 Alpha virt. eigenvalues --    1.54801   1.55487   1.56844   1.57719   1.58656
 Alpha virt. eigenvalues --    1.59258   1.60282   1.61145   1.61809   1.62626
 Alpha virt. eigenvalues --    1.63319   1.64138   1.65673   1.67266   1.67730
 Alpha virt. eigenvalues --    1.68487   1.69630   1.70947   1.71956   1.73222
 Alpha virt. eigenvalues --    1.74019   1.74774   1.76638   1.77952   1.78322
 Alpha virt. eigenvalues --    1.79460   1.80031   1.80863   1.82691   1.82982
 Alpha virt. eigenvalues --    1.85258   1.85879   1.87633   1.88782   1.89309
 Alpha virt. eigenvalues --    1.91001   1.93003   1.94490   1.95251   1.97593
 Alpha virt. eigenvalues --    1.98641   1.99207   2.00888   2.01501   2.02355
 Alpha virt. eigenvalues --    2.03284   2.03741   2.05606   2.06383   2.07090
 Alpha virt. eigenvalues --    2.07872   2.09116   2.09810   2.10718   2.11465
 Alpha virt. eigenvalues --    2.12626   2.13127   2.14387   2.16591   2.17685
 Alpha virt. eigenvalues --    2.18401   2.20367   2.20977   2.22430   2.25240
 Alpha virt. eigenvalues --    2.25511   2.26041   2.26681   2.27378   2.28605
 Alpha virt. eigenvalues --    2.31965   2.33137   2.33887   2.36784   2.37506
 Alpha virt. eigenvalues --    2.38282   2.40328   2.42300   2.43407   2.44870
 Alpha virt. eigenvalues --    2.46571   2.47309   2.50008   2.51138   2.52414
 Alpha virt. eigenvalues --    2.55486   2.56097   2.57342   2.58411   2.58710
 Alpha virt. eigenvalues --    2.60469   2.62081   2.63844   2.64528   2.65434
 Alpha virt. eigenvalues --    2.67445   2.69995   2.72855   2.75627   2.76681
 Alpha virt. eigenvalues --    2.78140   2.82543   2.84307   2.89312   2.89896
 Alpha virt. eigenvalues --    3.02210   3.04258   3.09120   3.11651   3.21387
 Alpha virt. eigenvalues --    3.29356   3.41753   3.45043   3.48348   3.55450
 Alpha virt. eigenvalues --    3.57353   3.70554   3.77560   3.89844   5.02226
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.343876  -0.925960   0.541432  -0.286515  -0.026062   0.001456
     2  C   -0.925960  10.964581  -4.742683   2.034619  -0.683381  -0.013185
     3  C    0.541432  -4.742683  24.043129 -10.445418   2.105926  -0.600234
     4  C   -0.286515   2.034619 -10.445418  23.140018  -8.398114   0.030213
     5  C   -0.026062  -0.683381   2.105926  -8.398114  15.682616  -2.366057
     6  C    0.001456  -0.013185  -0.600234   0.030213  -2.366057   8.490885
     7  O    0.005654   0.003373   0.020745  -0.038489   0.067355   0.136894
     8  C   -0.490542  -0.939279   0.272193  -0.464881   0.048207   0.016262
     9  C   -0.140072  -1.106836   1.083804  -0.288114   0.058955   0.022429
    10  C   -0.363860   1.897937  -3.885287   0.865048  -0.551874  -0.080786
    11  C   -0.000734  -0.020120  -0.047152  -0.415867   0.356200  -0.067873
    12  H    0.178283  -0.091249  -0.230697   0.028473  -0.004663  -0.001240
    13  H   -0.325988   0.338257  -0.006304   0.364576  -0.027882   0.010850
    14  H   -0.212903   0.277648  -3.500721   0.563313   0.235266  -0.015770
    15  H    0.032932  -0.185375  -0.527260  -0.014746   0.281849  -0.027661
    16  H    0.020927   0.030834   0.371004   0.417944  -0.112954   0.025320
    17  H    0.022842   0.453327  -0.353614  -0.173492   0.106720  -0.023004
    18  H   -0.182424  -0.117725   0.235555  -0.017541   0.007857   0.006722
    19  H    0.339166  -0.022279  -0.166728   0.132882  -0.029989  -0.004784
    20  H   -0.083426   0.846208  -0.247109   0.055063  -0.051037  -0.004774
    21  H    0.052338  -0.173670   0.026995   0.063086   0.007330   0.006830
    22  H    0.070419   0.004364  -0.076729   0.039912   0.001624   0.003233
    23  H    0.083533  -0.254530   0.711673  -2.928987   0.280139   0.066705
    24  H    0.020695   0.012239  -0.155524   0.594279  -2.482538   0.557559
    25  H    0.000008  -0.002725  -0.021693   0.045366  -0.100169   0.008859
    26  H   -0.001685  -0.000391  -0.022227   0.034662  -0.094623  -0.000155
    27  H    0.000869  -0.001194   0.022118  -0.077985   0.316588   0.016051
               7          8          9         10         11         12
     1  C    0.005654  -0.490542  -0.140072  -0.363860  -0.000734   0.178283
     2  C    0.003373  -0.939279  -1.106836   1.897937  -0.020120  -0.091249
     3  C    0.020745   0.272193   1.083804  -3.885287  -0.047152  -0.230697
     4  C   -0.038489  -0.464881  -0.288114   0.865048  -0.415867   0.028473
     5  C    0.067355   0.048207   0.058955  -0.551874   0.356200  -0.004663
     6  C    0.136894   0.016262   0.022429  -0.080786  -0.067873  -0.001240
     7  O    8.587339  -0.000365  -0.002453   0.003604  -0.048792   0.000178
     8  C   -0.000365   6.429067  -0.550973   0.237913   0.008058   0.051320
     9  C   -0.002453  -0.550973   7.929137  -1.376975   0.003579  -0.755367
    10  C    0.003604   0.237913  -1.376975   8.997489  -0.025192   0.262299
    11  C   -0.048792   0.008058   0.003579  -0.025192   5.058353   0.000061
    12  H    0.000178   0.051320  -0.755367   0.262299   0.000061   3.160892
    13  H   -0.001212   0.020564  -0.759415  -0.084876   0.000605  -0.901653
    14  H    0.002297   0.037585   0.052039   0.639416   0.034261   0.047782
    15  H    0.003641  -0.118958   0.378594  -0.511716   0.000414   0.224706
    16  H   -0.000560   0.074371  -0.070493  -1.095631  -0.001120  -0.314482
    17  H   -0.005497  -0.081081  -0.126943   0.242552  -0.002668   0.037736
    18  H    0.000977   0.258555  -0.012853  -0.076572   0.001271   0.017101
    19  H    0.001008  -0.101977   0.009217  -0.023384  -0.002392   0.001454
    20  H    0.000343  -0.189973  -0.099147  -0.064884  -0.000429  -0.049030
    21  H   -0.000320   0.184428  -0.035495   0.008722   0.001298   0.028294
    22  H   -0.000176   0.003512   0.070522   0.020189   0.000252  -0.053154
    23  H   -0.060467   0.089759  -0.054873  -0.249893   0.025197   0.026417
    24  H   -0.081991  -0.002263   0.020989   0.028006  -0.401309   0.004583
    25  H    0.026012  -0.000392   0.000151  -0.001025   0.366358  -0.000159
    26  H    0.026737   0.000384   0.001119  -0.006431   0.387917  -0.000077
    27  H   -0.020728   0.000127   0.000018  -0.000048  -0.113282   0.000067
              13         14         15         16         17         18
     1  C   -0.325988  -0.212903   0.032932   0.020927   0.022842  -0.182424
     2  C    0.338257   0.277648  -0.185375   0.030834   0.453327  -0.117725
     3  C   -0.006304  -3.500721  -0.527260   0.371004  -0.353614   0.235555
     4  C    0.364576   0.563313  -0.014746   0.417944  -0.173492  -0.017541
     5  C   -0.027882   0.235266   0.281849  -0.112954   0.106720   0.007857
     6  C    0.010850  -0.015770  -0.027661   0.025320  -0.023004   0.006722
     7  O   -0.001212   0.002297   0.003641  -0.000560  -0.005497   0.000977
     8  C    0.020564   0.037585  -0.118958   0.074371  -0.081081   0.258555
     9  C   -0.759415   0.052039   0.378594  -0.070493  -0.126943  -0.012853
    10  C   -0.084876   0.639416  -0.511716  -1.095631   0.242552  -0.076572
    11  C    0.000605   0.034261   0.000414  -0.001120  -0.002668   0.001271
    12  H   -0.901653   0.047782   0.224706  -0.314482   0.037736   0.017101
    13  H    3.344089  -0.046188  -0.335417   0.242896  -0.117618  -0.021748
    14  H   -0.046188   4.130098   0.215992  -0.262871   0.014677  -0.006624
    15  H   -0.335417   0.215992   3.064347  -0.795802   0.013861   0.007773
    16  H    0.242896  -0.262871  -0.795802   3.092005  -0.001995  -0.005287
    17  H   -0.117618   0.014677   0.013861  -0.001995   2.218078  -0.570236
    18  H   -0.021748  -0.006624   0.007773  -0.005287  -0.570236   2.174484
    19  H    0.014370   0.007292  -0.001546  -0.000561  -0.427381  -0.434539
    20  H    0.022677  -0.069125  -0.004396  -0.018704  -0.049271   0.032257
    21  H   -0.017518  -0.031602   0.000975   0.003120   0.022175   0.041054
    22  H    0.033048   0.019899  -0.006969   0.017282   0.021643  -0.070802
    23  H   -0.099702   0.039072   0.000476   0.035533   0.091950  -0.000450
    24  H   -0.010191  -0.246226   0.014537  -0.000320   0.020715  -0.000606
    25  H    0.000682   0.005923  -0.000759   0.000088  -0.002358   0.000537
    26  H    0.000531   0.005869  -0.000487  -0.000477  -0.001069  -0.000095
    27  H   -0.000618  -0.001503   0.000775   0.000131   0.002015   0.000008
              19         20         21         22         23         24
     1  C    0.339166  -0.083426   0.052338   0.070419   0.083533   0.020695
     2  C   -0.022279   0.846208  -0.173670   0.004364  -0.254530   0.012239
     3  C   -0.166728  -0.247109   0.026995  -0.076729   0.711673  -0.155524
     4  C    0.132882   0.055063   0.063086   0.039912  -2.928987   0.594279
     5  C   -0.029989  -0.051037   0.007330   0.001624   0.280139  -2.482538
     6  C   -0.004784  -0.004774   0.006830   0.003233   0.066705   0.557559
     7  O    0.001008   0.000343  -0.000320  -0.000176  -0.060467  -0.081991
     8  C   -0.101977  -0.189973   0.184428   0.003512   0.089759  -0.002263
     9  C    0.009217  -0.099147  -0.035495   0.070522  -0.054873   0.020989
    10  C   -0.023384  -0.064884   0.008722   0.020189  -0.249893   0.028006
    11  C   -0.002392  -0.000429   0.001298   0.000252   0.025197  -0.401309
    12  H    0.001454  -0.049030   0.028294  -0.053154   0.026417   0.004583
    13  H    0.014370   0.022677  -0.017518   0.033048  -0.099702  -0.010191
    14  H    0.007292  -0.069125  -0.031602   0.019899   0.039072  -0.246226
    15  H   -0.001546  -0.004396   0.000975  -0.006969   0.000476   0.014537
    16  H   -0.000561  -0.018704   0.003120   0.017282   0.035533  -0.000320
    17  H   -0.427381  -0.049271   0.022175   0.021643   0.091950   0.020715
    18  H   -0.434539   0.032257   0.041054  -0.070802  -0.000450  -0.000606
    19  H    1.937687   0.019427  -0.069126   0.023854  -0.013234  -0.012019
    20  H    0.019427   2.304781  -0.496003  -0.526298  -0.002987  -0.003246
    21  H   -0.069126  -0.496003   2.096991  -0.477627   0.013216   0.013296
    22  H    0.023854  -0.526298  -0.477627   2.163403   0.002299   0.000340
    23  H   -0.013234  -0.002987   0.013216   0.002299   4.048061   0.241397
    24  H   -0.012019  -0.003246   0.013296   0.000340   0.241397   4.206689
    25  H   -0.000559   0.000024  -0.000452  -0.000069  -0.007159  -0.099131
    26  H    0.000338   0.000019  -0.000077   0.000058  -0.008812  -0.096957
    27  H   -0.000007  -0.000103   0.000198   0.000011   0.007492   0.036689
              25         26         27
     1  C    0.000008  -0.001685   0.000869
     2  C   -0.002725  -0.000391  -0.001194
     3  C   -0.021693  -0.022227   0.022118
     4  C    0.045366   0.034662  -0.077985
     5  C   -0.100169  -0.094623   0.316588
     6  C    0.008859  -0.000155   0.016051
     7  O    0.026012   0.026737  -0.020728
     8  C   -0.000392   0.000384   0.000127
     9  C    0.000151   0.001119   0.000018
    10  C   -0.001025  -0.006431  -0.000048
    11  C    0.366358   0.387917  -0.113282
    12  H   -0.000159  -0.000077   0.000067
    13  H    0.000682   0.000531  -0.000618
    14  H    0.005923   0.005869  -0.001503
    15  H   -0.000759  -0.000487   0.000775
    16  H    0.000088  -0.000477   0.000131
    17  H   -0.002358  -0.001069   0.002015
    18  H    0.000537  -0.000095   0.000008
    19  H   -0.000559   0.000338  -0.000007
    20  H    0.000024   0.000019  -0.000103
    21  H   -0.000452  -0.000077   0.000198
    22  H   -0.000069   0.000058   0.000011
    23  H   -0.007159  -0.008812   0.007492
    24  H   -0.099131  -0.096957   0.036689
    25  H    1.347894  -0.185775  -0.251126
    26  H   -0.185775   1.337476  -0.253265
    27  H   -0.251126  -0.253265   1.644004
 Mulliken charges:
               1
     1  C    1.325740
     2  C   -1.582805
     3  C    1.594804
     4  C    1.140694
     5  C    1.372711
     6  C   -0.194744
     7  O   -0.625108
     8  C    1.208379
     9  C    1.749459
    10  C    1.195260
    11  C    0.903105
    12  H   -0.667876
    13  H   -0.636817
    14  H   -0.934895
    15  H   -0.709779
    16  H   -0.650199
    17  H   -0.332061
    18  H   -0.266649
    19  H   -0.176193
    20  H   -0.320858
    21  H   -0.268454
    22  H   -0.284039
    23  H   -1.081825
    24  H   -1.179689
    25  H   -0.128352
    26  H   -0.122507
    27  H   -0.327303
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.550837
     2  C   -1.582805
     3  C    0.659909
     4  C    0.058869
     5  C    0.193022
     6  C   -0.194744
     7  O   -0.625108
     8  C    0.335028
     9  C    0.444766
    10  C   -0.164718
    11  C    0.324943
 Electronic spatial extent (au):  <R**2>=           2496.7997
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.8104    Y=             -0.7020    Z=             -2.5651  Tot=              3.2172
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -70.3352   YY=            -69.8817   ZZ=            -71.8857
   XY=              3.0729   XZ=              8.3163   YZ=             -0.4411
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.3657   YY=              0.8192   ZZ=             -1.1848
   XY=              3.0729   XZ=              8.3163   YZ=             -0.4411
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -8.5628  YYY=              0.3676  ZZZ=             -2.6592  XYY=             -4.1619
  XXY=             -8.7759  XXZ=            -25.4827  XZZ=              6.3501  YZZ=             -0.4486
  YYZ=              0.6732  XYZ=              1.0504
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2555.9131 YYYY=           -473.0712 ZZZZ=           -381.9079 XXXY=             26.0347
 XXXZ=             70.9553 YYYX=              0.6039 YYYZ=              6.2527 ZZZX=              7.3651
 ZZZY=              0.1820 XXYY=           -512.7863 XXZZ=           -530.9801 YYZZ=           -142.5669
 XXYZ=            -19.1751 YYXZ=             -2.2754 ZZXY=              5.4873
 N-N= 6.092938634668D+02 E-N=-2.300290771175D+03  KE= 4.631315005231D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:29:39 2021, MaxMem=  5368709120 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.01089548D-01-2.70004810D-01-9.90123062D-01
 Polarizability= 1.61281272D+02 5.03064875D+00 1.04214168D+02
                 3.11105867D+00 3.14748124D+00 1.08318591D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.5134   -1.5148        2.9549    2.9569
 2      1.5134    1.5148       -1.5866   -1.5881      -34.2290  -34.2261
 3     -2.9549   -2.9569       32.3266   32.3216        1.5889    1.5881
 4      1.5866    1.5881        0.0000    0.0000       -2.9561   -2.9569
 5      1.9024    1.9045        2.9561    2.9569       -1.5151   -1.5148
 6     -1.5889   -1.5881        1.5151    1.5148       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        4.5443    4.5443        8.8707    8.8707
 2      4.7644    4.7644        0.0000    0.0000        8.8707    8.8707
 3      4.7644    4.7644        4.5443    4.5443        0.0000    0.0000
 4      4.5443    4.5443       -4.7644   -4.7644     -102.6783 -102.6783
 5     -8.8707   -8.8707       96.9649   96.9649        4.7644    4.7644
 6      5.7134    5.7134        8.8707    8.8707       -4.5443   -4.5443
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0764    0.0000        6.3033    6.0591      -11.7300  -11.8276
 2     -6.1523   -6.0591        6.3895    6.3525      136.8946  136.9044
 3     11.8669   11.8276     -129.2177 -129.2866       -6.4046   -6.3525
 4     -6.2203   -6.3525        0.0678    0.0000       11.8393   11.8276
 5     -7.6386   -7.6178      -11.8936  -11.8276        5.8944    6.0591
 6      6.3724    6.3525       -6.0564   -6.0591        0.0310    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0850    0.0000       32.9623   33.0961      -26.7927  -26.6653
 2    -33.3333  -33.0961      -38.5414  -38.6651        4.3625    4.3252
 3     26.5166   26.6653       45.7784   45.6977       39.0433   38.6651
 4     38.7509   38.6651        0.0364    0.0000       26.8146   26.6653
 5    -49.8213  -50.0229      -26.7925  -26.6653       33.1125   33.0961
 6    -38.7976  -38.6651      -33.0346  -33.0961       -0.0990    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     63.3986   63.3240       29.5980   29.6179      -16.5682  -16.5004
 2     94.4582   94.3313       53.1225   53.2103      -16.3792  -16.5004
 3     94.4290   94.3313       29.5661   29.6179      -11.8945  -12.0598
 4    -23.7691  -23.5924      -30.9104  -31.0073       23.5022   23.0629
 5      4.0931    4.4406       39.6243   39.5405       31.7293   31.0073
 6    -62.3738  -62.6034       -4.2644   -4.4406       23.4675   23.5924
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.0699    0.0006    0.0006    0.0008    6.4673   13.2568
 Low frequencies ---   36.6930   64.8476   73.6485
 Diagonal vibrational polarizability:
       20.6008396      63.2096190       8.5645609
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     36.6879                64.8091                73.6407
 Red. masses --      3.3641                 3.4367                 3.4989
 Frc consts  --      0.0027                 0.0085                 0.0112
 IR Inten    --      3.0385                 1.0106                 1.0091
 RamAct Fr= 1--      1.9613                 0.7411                 0.6529
  Dep-P Fr= 1--      0.7337                 0.7497                 0.5002
  Dep-U Fr= 1--      0.8464                 0.8570                 0.6669
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0032
 Beta2  Fr= 1--      0.2767                 0.1059                 0.0726
 AlphaG Fr= 1--     -0.0049                 0.0003                 0.0186
 Gamma2 Fr= 1--     -0.1798                 0.0436                 0.6341
 Delta2 Fr= 1--      0.0580                 0.0369                 0.1603
 Raman1 Fr= 1--       7.845                  2.964                  2.612
 ROA1   Fr= 1--     -15.403                  5.371                 66.004
 CID1   Fr= 1--      -1.963                  1.812                 25.274
 Raman2 Fr= 1--       3.320                  1.270                  0.871
 ROA2   Fr= 1--      -4.780                  0.752                 13.936
 CID2   Fr= 1--      -1.440                  0.592                 16.003
 Raman3 Fr= 1--       6.640                  2.540                  1.742
 ROA3   Fr= 1--     -15.403                  5.371                 66.004
 CID3   Fr= 1--      -2.320                  2.114                 37.899
 RC180  Fr= 1--       0.693                  0.714                  0.334
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.04   0.09     0.10  -0.13  -0.09    -0.20  -0.00  -0.06
     2   6     0.04   0.01   0.02     0.04  -0.02  -0.00    -0.07   0.01   0.01
     3   6    -0.01  -0.09  -0.00    -0.00  -0.11  -0.03     0.03   0.03  -0.11
     4   6    -0.01  -0.11   0.01     0.00  -0.12  -0.02     0.02   0.07  -0.13
     5   6    -0.02  -0.03  -0.00    -0.03  -0.05  -0.01     0.01  -0.01  -0.07
     6   6    -0.02  -0.00  -0.00    -0.02   0.07   0.01     0.07  -0.04   0.03
     7   8     0.02  -0.18   0.06     0.00   0.20  -0.03     0.17  -0.12   0.06
     8   6     0.06   0.01   0.04     0.17   0.14   0.03     0.06   0.01   0.13
     9   6    -0.02   0.07  -0.05    -0.14   0.01   0.07    -0.14   0.01   0.07
    10   6    -0.08  -0.03  -0.08    -0.09  -0.05  -0.01     0.05   0.00  -0.08
    11   6    -0.08   0.28  -0.08    -0.04   0.01   0.07    -0.01   0.04   0.10
    12   1    -0.02   0.13  -0.08    -0.16   0.09   0.21    -0.14  -0.02   0.25
    13   1    -0.01   0.10  -0.05    -0.28  -0.04   0.03    -0.31   0.03  -0.00
    14   1    -0.02  -0.14   0.01     0.00  -0.12  -0.03     0.07  -0.00  -0.11
    15   1    -0.12  -0.04  -0.11    -0.15  -0.06  -0.09     0.06   0.06  -0.21
    16   1    -0.11  -0.04  -0.11    -0.03  -0.06   0.03     0.19  -0.09  -0.01
    17   1     0.11   0.03   0.08     0.00  -0.25  -0.12    -0.28  -0.01  -0.14
    18   1     0.15   0.11   0.10     0.12  -0.05  -0.05    -0.27  -0.02   0.03
    19   1     0.15  -0.02   0.14     0.24  -0.16  -0.17    -0.14   0.02  -0.14
    20   1     0.00  -0.01  -0.01     0.12   0.22   0.09     0.15   0.01   0.18
    21   1     0.09  -0.04   0.09     0.30   0.12  -0.04     0.13   0.02   0.07
    22   1     0.09   0.09   0.04     0.18   0.22   0.07    -0.01   0.01   0.24
    23   1     0.01  -0.17   0.03     0.02  -0.12  -0.01     0.02   0.13  -0.15
    24   1    -0.05   0.05  -0.03    -0.06  -0.05  -0.01    -0.03  -0.06  -0.05
    25   1    -0.20   0.33  -0.27    -0.09  -0.04   0.21    -0.04   0.08  -0.01
    26   1    -0.01   0.46   0.03    -0.02  -0.10  -0.01    -0.09   0.13   0.18
    27   1    -0.07   0.27  -0.07    -0.04   0.14   0.08     0.05  -0.02   0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    115.7161               140.6741               151.7900
 Red. masses --      1.0817                 2.6931                 3.1542
 Frc consts  --      0.0085                 0.0314                 0.0428
 IR Inten    --      0.0006                 0.3762                 1.5852
 RamAct Fr= 1--      0.4775                 1.2268                 0.5781
  Dep-P Fr= 1--      0.7309                 0.7467                 0.6454
  Dep-U Fr= 1--      0.8445                 0.8550                 0.7845
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0011
 Beta2  Fr= 1--      0.0672                 0.1748                 0.0756
 AlphaG Fr= 1--     -0.0014                -0.0007                -0.0042
 Gamma2 Fr= 1--     -0.0757                 0.4956                -0.3124
 Delta2 Fr= 1--      0.0673                 0.3142                -0.0701
 Raman1 Fr= 1--       1.910                  4.907                  2.312
 ROA1   Fr= 1--      -5.113                 57.635                -32.236
 CID1   Fr= 1--      -2.677                 11.745                -13.940
 Raman2 Fr= 1--       0.807                  2.098                  0.907
 ROA2   Fr= 1--      -2.355                  9.382                 -6.938
 CID2   Fr= 1--      -2.920                  4.472                 -7.648
 Raman3 Fr= 1--       1.613                  4.195                  1.814
 ROA3   Fr= 1--      -5.113                 57.635                -32.236
 CID3   Fr= 1--      -3.170                 13.738                -17.769
 RC180  Fr= 1--       0.689                  0.710                  0.569
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01     0.03   0.02   0.06     0.03  -0.06  -0.02
     2   6    -0.00   0.01  -0.00     0.01  -0.01   0.01    -0.01  -0.02   0.01
     3   6     0.00   0.02  -0.00     0.00  -0.03  -0.00    -0.01  -0.04  -0.01
     4   6     0.00   0.01  -0.00    -0.01  -0.07  -0.06     0.03   0.08   0.10
     5   6     0.01  -0.04   0.01    -0.07   0.25  -0.17    -0.01   0.22   0.08
     6   6     0.00  -0.01   0.00    -0.00   0.07  -0.05    -0.03   0.05   0.04
     7   8     0.01  -0.04   0.01     0.09  -0.05  -0.00    -0.14  -0.08   0.07
     8   6    -0.01   0.00  -0.01     0.01  -0.05   0.03     0.04   0.03   0.02
     9   6     0.00   0.00   0.00     0.02  -0.00  -0.01    -0.06   0.00  -0.01
    10   6     0.01   0.01   0.00    -0.06  -0.00   0.06     0.09  -0.06  -0.17
    11   6    -0.00   0.04  -0.01    -0.04  -0.07   0.08     0.08  -0.06  -0.08
    12   1     0.00  -0.00   0.00     0.02   0.02  -0.08    -0.06  -0.02   0.16
    13   1     0.00  -0.00   0.00     0.09  -0.02   0.03    -0.23   0.08  -0.08
    14   1    -0.00   0.02  -0.00     0.06   0.01  -0.02    -0.12  -0.13   0.02
    15   1     0.01   0.01   0.01    -0.11  -0.06   0.13     0.18   0.07  -0.36
    16   1     0.01   0.01   0.01    -0.11   0.10   0.06     0.19  -0.30  -0.19
    17   1    -0.01   0.01  -0.01     0.05   0.04   0.07    -0.02  -0.12  -0.03
    18   1    -0.02  -0.01  -0.01     0.05   0.05   0.06     0.04  -0.03  -0.01
    19   1    -0.02   0.01  -0.02     0.03  -0.01   0.10     0.09  -0.08  -0.05
    20   1    -0.00   0.01  -0.00    -0.00  -0.07  -0.00     0.02   0.05   0.03
    21   1    -0.01   0.01  -0.01     0.01  -0.07   0.06     0.09   0.01   0.01
    22   1    -0.01  -0.01  -0.01     0.01  -0.02   0.04     0.05   0.08   0.04
    23   1    -0.01   0.05  -0.01     0.01  -0.38   0.04     0.12  -0.01   0.13
    24   1     0.02  -0.07   0.02    -0.14   0.53  -0.25    -0.01   0.33   0.05
    25   1    -0.23  -0.18   0.49    -0.04  -0.16   0.31     0.20  -0.09   0.03
    26   1     0.33  -0.34  -0.33    -0.08  -0.28  -0.06     0.15  -0.15  -0.15
    27   1    -0.09   0.54  -0.17    -0.01   0.04   0.12     0.00  -0.09  -0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    218.2932               244.6938               261.5399
 Red. masses --      1.2307                 1.9476                 2.7532
 Frc consts  --      0.0346                 0.0687                 0.1110
 IR Inten    --      0.1584                 0.6104                 0.2316
 RamAct Fr= 1--      0.2576                 0.2250                 7.6269
  Dep-P Fr= 1--      0.2587                 0.5955                 0.2369
  Dep-U Fr= 1--      0.4110                 0.7465                 0.3831
 Alpha2 Fr= 1--      0.0030                 0.0006                 0.0937
 Beta2  Fr= 1--      0.0176                 0.0280                 0.4869
 AlphaG Fr= 1--     -0.0012                 0.0006                 0.0007
 Gamma2 Fr= 1--      0.4094                 0.2112                 0.0500
 Delta2 Fr= 1--     -0.0706                 0.0667                -0.0042
 Raman1 Fr= 1--       1.031                  0.900                 30.508
 ROA1   Fr= 1--      37.038                 22.406                  4.668
 CID1   Fr= 1--      35.941                 24.893                  0.153
 Raman2 Fr= 1--       0.212                  0.336                  5.843
 ROA2   Fr= 1--      10.389                  4.535                  1.234
 CID2   Fr= 1--      49.055                 13.499                  0.211
 Raman3 Fr= 1--       0.424                  0.672                 11.686
 ROA3   Fr= 1--      37.038                 22.406                  4.668
 CID3   Fr= 1--      87.439                 33.349                  0.399
 RC180  Fr= 1--      -0.178                  0.493                 -0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.05    -0.08   0.04  -0.07    -0.06   0.02   0.01
     2   6    -0.02  -0.01   0.01     0.03   0.00  -0.06    -0.04   0.01  -0.00
     3   6    -0.01   0.02   0.00     0.02   0.01  -0.04    -0.03  -0.05  -0.00
     4   6    -0.02   0.05  -0.02     0.02  -0.04   0.00     0.06  -0.11   0.08
     5   6    -0.00  -0.00  -0.02    -0.02   0.01   0.05     0.07   0.01   0.03
     6   6    -0.00  -0.00  -0.01    -0.03   0.01   0.05     0.10   0.02   0.02
     7   8     0.02  -0.01  -0.01    -0.09   0.00   0.04     0.10   0.04   0.02
     8   6    -0.05   0.01  -0.04     0.13  -0.07   0.07    -0.11  -0.03  -0.04
     9   6    -0.01  -0.03   0.02     0.06   0.00  -0.07    -0.12   0.05  -0.00
    10   6     0.04  -0.01   0.01    -0.06   0.03   0.04    -0.15   0.01  -0.02
    11   6    -0.02   0.00   0.01     0.01  -0.00  -0.02     0.19   0.01  -0.07
    12   1    -0.01  -0.05   0.08     0.06   0.01  -0.22    -0.13   0.12   0.02
    13   1    -0.06  -0.03   0.01     0.21  -0.03  -0.01    -0.15   0.02  -0.01
    14   1     0.00   0.02   0.00     0.01   0.07  -0.06    -0.08  -0.06   0.00
    15   1     0.06   0.02  -0.02    -0.12  -0.06   0.17    -0.23  -0.04  -0.02
    16   1     0.06  -0.04   0.01    -0.13   0.19   0.05    -0.16   0.06  -0.00
    17   1    -0.28  -0.13  -0.22    -0.36   0.01  -0.33    -0.09   0.01  -0.03
    18   1     0.08   0.41   0.37    -0.18   0.23   0.23    -0.07   0.05   0.05
    19   1     0.53  -0.29   0.06     0.20  -0.09  -0.14    -0.02  -0.01   0.00
    20   1     0.04   0.05   0.06     0.33  -0.09   0.15     0.09   0.03   0.11
    21   1    -0.14   0.13  -0.15     0.17  -0.03  -0.02    -0.29   0.20  -0.22
    22   1    -0.11  -0.16  -0.08    -0.00  -0.16   0.23    -0.22  -0.34  -0.10
    23   1    -0.04   0.10  -0.04     0.08  -0.06   0.01     0.10  -0.23   0.12
    24   1     0.01  -0.05  -0.00    -0.06   0.04   0.04     0.07   0.13  -0.00
    25   1    -0.03  -0.00   0.01     0.05   0.00  -0.02     0.27   0.03  -0.08
    26   1    -0.03  -0.00   0.01     0.05   0.00  -0.02     0.28   0.03  -0.07
    27   1    -0.00   0.01   0.03    -0.02  -0.02  -0.06     0.11  -0.03  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    272.7936               333.8646               358.9876
 Red. masses --      1.1290                 2.3561                 2.3208
 Frc consts  --      0.0495                 0.1547                 0.1762
 IR Inten    --      0.0620                 2.0228                 0.6498
 RamAct Fr= 1--      0.8239                 1.0234                 1.4904
  Dep-P Fr= 1--      0.2158                 0.2586                 0.6785
  Dep-U Fr= 1--      0.3550                 0.4109                 0.8085
 Alpha2 Fr= 1--      0.0107                 0.0118                 0.0019
 Beta2  Fr= 1--      0.0488                 0.0701                 0.2008
 AlphaG Fr= 1--     -0.0059                -0.0021                 0.0121
 Gamma2 Fr= 1--     -0.0380                -0.9957                -0.4817
 Delta2 Fr= 1--     -0.0368                -0.0907                -0.2461
 Raman1 Fr= 1--       3.296                  4.094                  5.962
 ROA1   Fr= 1--      -4.823                -98.491                -54.118
 CID1   Fr= 1--      -1.464                -24.060                 -9.078
 Raman2 Fr= 1--       0.585                  0.841                  2.410
 ROA2   Fr= 1--      -0.617                -23.171                 -9.591
 CID2   Fr= 1--      -1.054                -27.553                 -3.980
 Raman3 Fr= 1--       1.170                  1.682                  4.820
 ROA3   Fr= 1--      -4.823                -98.491                -54.118
 CID3   Fr= 1--      -4.122                -58.557                -11.228
 RC180  Fr= 1--      -0.290                 -0.178                  0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.13   0.04   0.03     0.09  -0.16  -0.05
     2   6    -0.02  -0.01  -0.02     0.02  -0.01  -0.08    -0.04  -0.00   0.05
     3   6    -0.01   0.01  -0.01     0.03   0.04  -0.11    -0.05   0.00   0.04
     4   6     0.01   0.01   0.01     0.02   0.06  -0.11    -0.06   0.16  -0.01
     5   6     0.01   0.00   0.01    -0.03   0.00   0.01    -0.00   0.02  -0.01
     6   6     0.03   0.01   0.01    -0.02   0.01   0.06     0.02   0.02  -0.02
     7   8     0.03   0.01   0.01    -0.07   0.00   0.06     0.07  -0.02   0.00
     8   6    -0.02  -0.02  -0.01     0.03  -0.13  -0.01    -0.01  -0.05   0.11
     9   6    -0.03  -0.02  -0.00    -0.12  -0.03   0.06     0.02   0.05  -0.07
    10   6    -0.03   0.01   0.02    -0.03   0.04   0.06    -0.10   0.02  -0.01
    11   6     0.05   0.00  -0.02     0.04   0.00  -0.02     0.03  -0.00  -0.02
    12   1    -0.03  -0.01  -0.00    -0.14   0.05   0.27     0.03   0.03  -0.27
    13   1    -0.02  -0.05   0.01    -0.30  -0.20   0.02     0.20   0.13  -0.02
    14   1    -0.03   0.03  -0.01     0.08   0.12  -0.14    -0.05  -0.06   0.05
    15   1    -0.06  -0.02   0.05    -0.10  -0.01   0.08    -0.16  -0.06   0.09
    16   1    -0.03   0.05   0.04     0.05   0.13   0.16    -0.20   0.14  -0.04
    17   1    -0.14  -0.04  -0.11     0.36   0.12   0.20     0.10  -0.37   0.08
    18   1    -0.02   0.14   0.12     0.26   0.03  -0.17     0.17  -0.19  -0.21
    19   1     0.15  -0.10  -0.01    -0.04   0.03   0.21     0.13  -0.10  -0.17
    20   1    -0.41  -0.15  -0.34     0.16  -0.22  -0.04     0.12  -0.09   0.14
    21   1     0.14  -0.38   0.36    -0.04  -0.11   0.01    -0.01  -0.03   0.09
    22   1     0.21   0.46  -0.03    -0.05  -0.22   0.06    -0.10  -0.11   0.21
    23   1     0.01   0.03   0.00     0.08   0.14  -0.13    -0.12   0.37  -0.08
    24   1     0.02  -0.01   0.01    -0.10  -0.08   0.04     0.06  -0.17   0.05
    25   1     0.08   0.01  -0.02     0.09   0.01  -0.02     0.08  -0.00  -0.00
    26   1     0.08   0.01  -0.02     0.09   0.01  -0.02     0.03  -0.02  -0.03
    27   1     0.03  -0.01  -0.05    -0.02  -0.03  -0.09     0.02  -0.03  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    363.0272               415.0673               440.3594
 Red. masses --      2.2433                 2.9342                 2.2953
 Frc consts  --      0.1742                 0.2978                 0.2622
 IR Inten    --      0.3907                 2.8074                 0.5366
 RamAct Fr= 1--      0.7976                 1.9103                 0.4422
  Dep-P Fr= 1--      0.5177                 0.1256                 0.7242
  Dep-U Fr= 1--      0.6822                 0.2231                 0.8400
 Alpha2 Fr= 1--      0.0036                 0.0314                 0.0002
 Beta2  Fr= 1--      0.0907                 0.0710                 0.0619
 AlphaG Fr= 1--      0.0012                -0.0248                 0.0070
 Gamma2 Fr= 1--      0.3965                 0.6176                 0.4977
 Delta2 Fr= 1--      0.0183                 0.1680                 0.0548
 Raman1 Fr= 1--       3.190                  7.641                  1.769
 ROA1   Fr= 1--      38.655                 64.669                 49.534
 CID1   Fr= 1--      12.116                  8.463                 28.004
 Raman2 Fr= 1--       1.088                  0.852                  0.743
 ROA2   Fr= 1--       9.370                 13.479                 11.507
 CID2   Fr= 1--       8.610                 15.812                 15.488
 Raman3 Fr= 1--       2.177                  1.705                  1.486
 ROA3   Fr= 1--      38.655                 64.669                 49.534
 CID3   Fr= 1--      17.759                 37.931                 33.338
 RC180  Fr= 1--       0.364                 -0.554                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.02   0.12     0.02   0.07   0.02    -0.05   0.02   0.00
     2   6    -0.05  -0.08  -0.00    -0.05  -0.05  -0.14     0.12  -0.03   0.03
     3   6    -0.02  -0.07  -0.04    -0.11   0.05   0.04     0.08  -0.12   0.03
     4   6    -0.03   0.07  -0.09    -0.04   0.08   0.20     0.06   0.12   0.02
     5   6    -0.04   0.01  -0.01     0.06   0.03   0.05     0.07   0.06   0.03
     6   6     0.00   0.04   0.04     0.03  -0.03  -0.09     0.01   0.06  -0.06
     7   8     0.02  -0.00   0.06     0.09  -0.01  -0.09    -0.04  -0.06  -0.03
     8   6     0.05   0.15  -0.03     0.12  -0.03  -0.01     0.03  -0.03  -0.10
     9   6     0.03  -0.11  -0.04    -0.08  -0.11  -0.06    -0.03   0.05   0.04
    10   6    -0.04  -0.08   0.03    -0.04  -0.01   0.00    -0.10  -0.04   0.01
    11   6     0.08  -0.00  -0.04    -0.05  -0.00   0.01    -0.05  -0.00   0.04
    12   1     0.04  -0.18  -0.20    -0.08  -0.11   0.04    -0.05   0.22   0.10
    13   1     0.18  -0.08   0.01    -0.15  -0.21  -0.07    -0.10  -0.02   0.02
    14   1     0.02  -0.08  -0.04    -0.31   0.14   0.04     0.06  -0.20   0.05
    15   1    -0.09  -0.17   0.15     0.06   0.05   0.02    -0.27  -0.16   0.02
    16   1    -0.09   0.07   0.05    -0.03  -0.09  -0.02    -0.12   0.10   0.05
    17   1     0.05   0.19   0.12     0.14   0.24   0.05    -0.12   0.13  -0.12
    18   1    -0.04   0.03   0.11     0.08   0.16  -0.01    -0.19  -0.10   0.14
    19   1    -0.17  -0.01   0.27    -0.08  -0.02   0.25    -0.09   0.09  -0.06
    20   1    -0.02   0.35   0.15     0.26  -0.01   0.08    -0.07  -0.02  -0.13
    21   1     0.22   0.20  -0.23     0.31  -0.06  -0.11    -0.10   0.01  -0.06
    22   1     0.08   0.20  -0.05     0.01   0.02   0.21     0.10  -0.09  -0.27
    23   1    -0.03   0.23  -0.14    -0.07   0.08   0.19     0.06   0.41  -0.07
    24   1    -0.08  -0.14   0.03     0.26   0.05   0.04     0.17  -0.20   0.11
    25   1     0.19   0.01  -0.03    -0.16  -0.02   0.02    -0.07  -0.03   0.10
    26   1     0.15  -0.01  -0.05    -0.15  -0.01   0.02    -0.24  -0.07   0.02
    27   1     0.00  -0.07  -0.14     0.04   0.06   0.14     0.06  -0.01   0.20
                     16                     17                     18
                      A                      A                      A
 Frequencies --    487.0436               588.0546               618.5416
 Red. masses --      2.7530                 2.5204                 3.7164
 Frc consts  --      0.3848                 0.5135                 0.8378
 IR Inten    --      8.7908                 2.6738                17.6514
 RamAct Fr= 1--      1.3517                 3.0099                10.6338
  Dep-P Fr= 1--      0.3998                 0.0399                 0.1264
  Dep-U Fr= 1--      0.5712                 0.0767                 0.2244
 Alpha2 Fr= 1--      0.0100                 0.0609                 0.1744
 Beta2  Fr= 1--      0.1287                 0.0385                 0.3978
 AlphaG Fr= 1--     -0.0119                -0.1515                 0.0754
 Gamma2 Fr= 1--     -0.4294                -0.1319                 0.6579
 Delta2 Fr= 1--     -0.1845                -0.1796                -0.4123
 Raman1 Fr= 1--       5.407                 12.039                 42.535
 ROA1   Fr= 1--     -47.129                -18.406                 49.965
 CID1   Fr= 1--      -8.716                 -1.529                  1.175
 Raman2 Fr= 1--       1.544                  0.462                  4.773
 ROA2   Fr= 1--      -8.831                 -1.728                 19.088
 CID2   Fr= 1--      -5.719                 -3.741                  3.999
 Raman3 Fr= 1--       3.088                  0.924                  9.546
 ROA3   Fr= 1--     -47.129                -18.406                 49.965
 CID3   Fr= 1--     -15.260                -19.925                  5.234
 RC180  Fr= 1--       0.142                 -0.847                 -0.551
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.06     0.02   0.06  -0.05    -0.03  -0.07   0.06
     2   6    -0.12  -0.02   0.01    -0.06   0.05  -0.03     0.00  -0.03   0.02
     3   6     0.07   0.03  -0.13    -0.01  -0.01  -0.02     0.08   0.03  -0.09
     4   6     0.17  -0.00  -0.00     0.03  -0.10   0.02     0.08  -0.01   0.04
     5   6     0.13   0.03   0.06     0.03  -0.10   0.02    -0.02   0.00   0.16
     6   6     0.07  -0.06  -0.03    -0.02   0.27  -0.09    -0.15   0.05   0.01
     7   8    -0.12  -0.01  -0.06    -0.02  -0.09   0.02     0.20   0.03   0.05
     8   6    -0.08   0.06   0.06    -0.06   0.03   0.05     0.00  -0.00  -0.01
     9   6    -0.03  -0.04  -0.05     0.01  -0.04   0.01    -0.01   0.02  -0.02
    10   6    -0.02   0.05  -0.02     0.02  -0.01   0.01     0.04   0.09  -0.02
    11   6    -0.03   0.02   0.07     0.02   0.04   0.01    -0.23  -0.08  -0.18
    12   1    -0.01  -0.17  -0.18     0.02  -0.12  -0.04    -0.01  -0.01   0.04
    13   1     0.11   0.06  -0.01     0.06  -0.04   0.03    -0.06   0.07  -0.04
    14   1     0.06   0.02  -0.13    -0.01   0.01  -0.02     0.08   0.02  -0.09
    15   1    -0.15  -0.10   0.12     0.06   0.03  -0.01    -0.07  -0.04   0.11
    16   1    -0.04   0.30   0.06     0.05  -0.06   0.01     0.02   0.29   0.05
    17   1     0.06  -0.17   0.17     0.06  -0.00   0.01    -0.03  -0.08   0.07
    18   1     0.12   0.03  -0.06     0.10   0.12  -0.13    -0.03  -0.07   0.06
    19   1     0.03  -0.15   0.13     0.05   0.02  -0.02    -0.03  -0.08   0.07
    20   1    -0.12   0.14   0.12     0.00  -0.01   0.04    -0.07   0.05   0.01
    21   1     0.01   0.07  -0.01    -0.03   0.00   0.07    -0.01   0.03  -0.04
    22   1    -0.06   0.11   0.07    -0.10   0.04   0.14     0.05  -0.00  -0.10
    23   1     0.34  -0.14   0.05     0.01   0.05  -0.03     0.29  -0.01   0.05
    24   1     0.14   0.17   0.01     0.05  -0.25   0.07     0.03   0.04   0.14
    25   1    -0.27  -0.01   0.05     0.45  -0.01   0.30     0.04  -0.07  -0.10
    26   1    -0.14   0.05   0.11    -0.40  -0.29  -0.15    -0.20  -0.16  -0.23
    27   1     0.12   0.17   0.27     0.10  -0.27   0.15    -0.36  -0.27  -0.35
                     19                     20                     21
                      A                      A                      A
 Frequencies --    627.5373               730.1388               825.8333
 Red. masses --      3.2376                 1.4761                 2.4707
 Frc consts  --      0.7512                 0.4636                 0.9928
 IR Inten    --      0.2565                 6.0466                 3.2789
 RamAct Fr= 1--      4.8445                10.0046                37.6907
  Dep-P Fr= 1--      0.1494                 0.1263                 0.4190
  Dep-U Fr= 1--      0.2599                 0.2243                 0.5905
 Alpha2 Fr= 1--      0.0750                 0.1642                 0.2605
 Beta2  Fr= 1--      0.2099                 0.3739                 3.7096
 AlphaG Fr= 1--      0.1369                 0.1991                 0.2549
 Gamma2 Fr= 1--     -0.4339                 0.8405                -3.8673
 Delta2 Fr= 1--      0.6944                 0.9772                 0.3383
 Raman1 Fr= 1--      19.378                 40.018                150.763
 ROA1   Fr= 1--     -19.432                111.960               -360.437
 CID1   Fr= 1--      -1.003                  2.798                 -2.391
 Raman2 Fr= 1--       2.518                  4.487                 44.515
 ROA2   Fr= 1--     -15.968                 12.356                -95.522
 CID2   Fr= 1--      -6.341                  2.753                 -2.146
 Raman3 Fr= 1--       5.037                  8.975                 89.029
 ROA3   Fr= 1--     -19.432                111.960               -360.437
 CID3   Fr= 1--      -3.858                 12.475                 -4.049
 RC180  Fr= 1--      -0.480                 -0.551                  0.181
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.18  -0.15     0.02   0.05  -0.04    -0.03  -0.01  -0.03
     2   6    -0.03   0.11  -0.02     0.01   0.01   0.01    -0.11  -0.02  -0.08
     3   6    -0.00  -0.13  -0.07     0.04  -0.06   0.07     0.13  -0.07   0.16
     4   6     0.04   0.04   0.00    -0.02  -0.01   0.01     0.07  -0.07  -0.01
     5   6    -0.00   0.08   0.06    -0.01   0.01  -0.03     0.07   0.08  -0.12
     6   6    -0.01  -0.09   0.02    -0.00  -0.01   0.01    -0.00   0.00   0.05
     7   8     0.06   0.03  -0.01    -0.01   0.00   0.01    -0.02   0.01   0.06
     8   6    -0.10   0.06   0.10    -0.04   0.02   0.05    -0.02  -0.01  -0.04
     9   6     0.04  -0.07   0.09     0.01  -0.08  -0.08    -0.03   0.03   0.00
    10   6    -0.02  -0.18   0.04     0.06   0.06  -0.05    -0.02   0.11   0.01
    11   6    -0.07  -0.04  -0.05     0.01  -0.00   0.01    -0.06  -0.04  -0.01
    12   1     0.05  -0.12  -0.14     0.01  -0.18   0.40    -0.02  -0.01  -0.16
    13   1     0.23  -0.09   0.17    -0.41  -0.03  -0.25     0.13  -0.04   0.07
    14   1     0.01  -0.21  -0.05     0.04  -0.19   0.10     0.14  -0.10   0.16
    15   1    -0.11  -0.20  -0.06    -0.03  -0.19   0.37     0.01   0.23  -0.23
    16   1     0.07  -0.16   0.12    -0.22   0.43  -0.11     0.08  -0.16  -0.03
    17   1     0.09   0.10  -0.09    -0.00   0.04  -0.06     0.08   0.02   0.06
    18   1     0.14   0.22  -0.22    -0.01   0.00  -0.02     0.12   0.20  -0.12
    19   1     0.11   0.18  -0.18     0.02   0.08  -0.09    -0.01  -0.17   0.19
    20   1    -0.01  -0.06   0.01    -0.03   0.02   0.05     0.07   0.00   0.03
    21   1    -0.19   0.03   0.19    -0.04   0.02   0.05     0.19  -0.08  -0.10
    22   1    -0.17   0.01   0.17    -0.05   0.03   0.07    -0.09   0.10   0.16
    23   1     0.18   0.12  -0.01    -0.10   0.03  -0.00    -0.13   0.21  -0.11
    24   1     0.05   0.03   0.08     0.00  -0.05  -0.01     0.14  -0.44   0.05
    25   1    -0.22  -0.03  -0.15    -0.01   0.01  -0.02    -0.12  -0.01  -0.12
    26   1     0.08   0.08   0.02     0.05   0.03   0.02     0.11   0.06   0.03
    27   1    -0.11   0.06  -0.11    -0.01   0.01  -0.02    -0.15   0.00  -0.14
                     22                     23                     24
                      A                      A                      A
 Frequencies --    860.4846               875.6582               894.8879
 Red. masses --      2.8209                 1.9591                 1.7260
 Frc consts  --      1.2306                 0.8851                 0.8144
 IR Inten    --      0.1594                 3.3053                 8.9442
 RamAct Fr= 1--      5.9332                19.7132                 6.5440
  Dep-P Fr= 1--      0.6407                 0.5707                 0.3903
  Dep-U Fr= 1--      0.7810                 0.7267                 0.5615
 Alpha2 Fr= 1--      0.0117                 0.0667                 0.0502
 Beta2  Fr= 1--      0.7723                 2.3875                 0.6124
 AlphaG Fr= 1--     -0.0316                 0.3886                 0.3309
 Gamma2 Fr= 1--      4.2314                 6.4562                 4.2197
 Delta2 Fr= 1--     -0.9763                -0.5921                 0.8209
 Raman1 Fr= 1--      23.733                 78.853                 26.176
 ROA1   Fr= 1--     374.972                600.846                431.360
 CID1   Fr= 1--      15.800                  7.620                 16.479
 Raman2 Fr= 1--       9.268                 28.650                  7.349
 ROA2   Fr= 1--     109.363                159.686                 94.705
 CID2   Fr= 1--      11.800                  5.574                 12.887
 Raman3 Fr= 1--      18.536                 57.300                 14.697
 ROA3   Fr= 1--     374.972                600.846                431.360
 CID3   Fr= 1--      20.229                 10.486                 29.350
 RC180  Fr= 1--       0.562                  0.453                  0.123
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03  -0.01    -0.04  -0.00  -0.03     0.02   0.04  -0.01
     2   6     0.10  -0.04   0.04    -0.09  -0.01  -0.04     0.00   0.02   0.05
     3   6     0.02   0.12   0.09     0.03   0.00   0.05     0.04  -0.05   0.02
     4   6     0.08   0.06  -0.06    -0.01   0.10  -0.02    -0.04   0.06   0.02
     5   6     0.14  -0.07  -0.08     0.08  -0.11  -0.04     0.02  -0.07  -0.02
     6   6     0.02   0.02   0.06    -0.00   0.01   0.03    -0.02  -0.01   0.00
     7   8    -0.03   0.02   0.08    -0.02   0.01   0.03    -0.01   0.00  -0.00
     8   6    -0.05   0.03   0.08     0.01  -0.02  -0.06     0.06  -0.02  -0.02
     9   6    -0.05  -0.11  -0.12     0.08   0.08   0.09    -0.10  -0.09   0.03
    10   6    -0.12  -0.07   0.01    -0.00  -0.10  -0.04     0.01   0.12  -0.06
    11   6    -0.09  -0.01  -0.04    -0.04   0.02  -0.01    -0.00   0.02   0.02
    12   1    -0.08   0.05  -0.07     0.08   0.08   0.19    -0.06  -0.35  -0.35
    13   1    -0.10  -0.29  -0.11    -0.07   0.21   0.02     0.30  -0.04   0.18
    14   1     0.09   0.29   0.05     0.00  -0.06   0.07    -0.02  -0.33   0.08
    15   1     0.08   0.13  -0.14    -0.20  -0.28   0.06    -0.14   0.06  -0.15
    16   1    -0.14  -0.39  -0.13    -0.16   0.14  -0.06     0.25   0.20   0.14
    17   1    -0.05   0.07  -0.13     0.07   0.00   0.07    -0.01   0.01  -0.03
    18   1    -0.11  -0.16   0.10     0.12   0.20  -0.11    -0.01  -0.02  -0.00
    19   1     0.01   0.17  -0.18    -0.00  -0.15   0.16     0.02   0.09  -0.08
    20   1    -0.13   0.09   0.11     0.11  -0.03  -0.02    -0.01  -0.04  -0.08
    21   1    -0.09   0.07   0.06     0.18  -0.09  -0.09    -0.11   0.04   0.04
    22   1     0.01   0.02  -0.03    -0.06   0.06   0.13     0.10  -0.11  -0.16
    23   1    -0.01  -0.10  -0.01    -0.07  -0.21   0.08    -0.11  -0.10   0.07
    24   1     0.07   0.28  -0.19     0.01   0.50  -0.23    -0.01   0.34  -0.15
    25   1     0.02  -0.02  -0.00     0.13   0.01   0.06     0.14   0.03   0.05
    26   1    -0.11  -0.07  -0.08    -0.07  -0.08  -0.07     0.03  -0.03  -0.02
    27   1    -0.14  -0.10  -0.11    -0.08  -0.10  -0.07    -0.05  -0.06  -0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --    928.4926               947.4214               955.8181
 Red. masses --      2.0466                 2.0144                 1.8424
 Frc consts  --      1.0395                 1.0653                 0.9917
 IR Inten    --      5.7556                12.5946                12.4198
 RamAct Fr= 1--      9.9089                16.9764                11.8014
  Dep-P Fr= 1--      0.6685                 0.3362                 0.5936
  Dep-U Fr= 1--      0.8013                 0.5032                 0.7450
 Alpha2 Fr= 1--      0.0143                 0.1558                 0.0343
 Beta2  Fr= 1--      1.3234                 1.4238                 1.4652
 AlphaG Fr= 1--      0.2942                 0.3308                 0.0107
 Gamma2 Fr= 1--     -1.8983                -1.7644                 0.4937
 Delta2 Fr= 1--     -0.8247                -0.7812                -0.3757
 Raman1 Fr= 1--      39.636                 67.906                 47.206
 ROA1   Fr= 1--    -208.626               -194.382                 35.373
 CID1   Fr= 1--      -5.264                 -2.863                  0.749
 Raman2 Fr= 1--      15.880                 17.085                 17.583
 ROA2   Fr= 1--     -38.961                -36.096                 14.854
 CID2   Fr= 1--      -2.453                 -2.113                  0.845
 Raman3 Fr= 1--      31.761                 34.170                 35.166
 ROA3   Fr= 1--    -208.626               -194.382                 35.373
 CID3   Fr= 1--      -6.569                 -5.689                  1.006
 RC180  Fr= 1--       0.603                  0.006                  0.490
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.03     0.03  -0.03  -0.03    -0.03   0.10   0.01
     2   6    -0.02  -0.04  -0.03     0.03  -0.07  -0.05    -0.06   0.00   0.07
     3   6     0.06  -0.08   0.10     0.00  -0.07  -0.05    -0.05  -0.03   0.00
     4   6    -0.00   0.05  -0.09    -0.02   0.03   0.05     0.01   0.00  -0.01
     5   6    -0.10  -0.05   0.15     0.04  -0.03  -0.05     0.03  -0.00  -0.02
     6   6     0.02  -0.02  -0.03    -0.06  -0.01  -0.01     0.05   0.02   0.02
     7   8     0.03  -0.01  -0.05    -0.01  -0.01  -0.02    -0.01   0.01   0.04
     8   6    -0.06  -0.01   0.00    -0.07   0.02   0.06     0.06  -0.09  -0.04
     9   6    -0.01   0.02  -0.06    -0.07   0.10  -0.09    -0.08   0.04  -0.07
    10   6    -0.01   0.07   0.06     0.11  -0.03   0.10     0.07  -0.05   0.08
    11   6     0.05   0.01  -0.04    -0.01   0.02   0.08    -0.02  -0.02  -0.06
    12   1    -0.03   0.19  -0.00    -0.12   0.44  -0.21    -0.08   0.05  -0.12
    13   1    -0.05  -0.18  -0.05    -0.01   0.01  -0.06    -0.05   0.21  -0.08
    14   1     0.26  -0.15   0.10    -0.09  -0.07  -0.04    -0.02  -0.04   0.01
    15   1     0.11   0.22  -0.11     0.13  -0.04   0.15     0.21  -0.02   0.25
    16   1     0.04  -0.20  -0.01     0.32   0.08   0.29     0.05  -0.02   0.08
    17   1     0.02   0.07  -0.05     0.04   0.21  -0.15    -0.08  -0.36   0.20
    18   1     0.00   0.03  -0.00    -0.07  -0.04   0.12     0.14   0.07  -0.27
    19   1    -0.01  -0.00   0.02    -0.09  -0.03   0.09     0.21   0.16  -0.29
    20   1    -0.02   0.09   0.14    -0.10   0.08   0.12    -0.15   0.14   0.11
    21   1     0.19  -0.06  -0.12     0.01   0.02  -0.01     0.16   0.00  -0.24
    22   1    -0.08   0.14   0.16    -0.06   0.06   0.08     0.21  -0.01  -0.23
    23   1     0.14  -0.03  -0.05    -0.06   0.00   0.05     0.00  -0.04  -0.00
    24   1    -0.36   0.42   0.01     0.18   0.11  -0.10    -0.00  -0.04  -0.01
    25   1    -0.08  -0.04   0.05     0.24   0.08   0.03    -0.15  -0.05  -0.03
    26   1    -0.19  -0.04  -0.03     0.23   0.02   0.03    -0.16  -0.02  -0.04
    27   1     0.22   0.07   0.21    -0.19  -0.10  -0.18     0.07   0.03   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --    960.4879               981.5576               996.4541
 Red. masses --      1.8422                 1.6780                 1.7074
 Frc consts  --      1.0013                 0.9525                 0.9988
 IR Inten    --     32.0957                 2.7159                 3.8398
 RamAct Fr= 1--     39.6543                 3.5308                23.4151
  Dep-P Fr= 1--      0.2455                 0.5338                 0.1032
  Dep-U Fr= 1--      0.3942                 0.6961                 0.1871
 Alpha2 Fr= 1--      0.4759                 0.0147                 0.4067
 Beta2  Fr= 1--      2.6053                 0.4096                 0.7304
 AlphaG Fr= 1--     -0.6914                 0.0870                -0.0789
 Gamma2 Fr= 1--     -7.2959                -1.3459                 0.8749
 Delta2 Fr= 1--     -3.2151                -0.6499                 0.9513
 Raman1 Fr= 1--     158.617                 14.123                 93.661
 ROA1   Fr= 1--    -803.291               -150.005                114.434
 CID1   Fr= 1--      -5.064                -10.621                  1.222
 Raman2 Fr= 1--      31.264                  4.915                  8.764
 ROA2   Fr= 1--    -149.381                -27.102                 13.387
 CID2   Fr= 1--      -4.778                 -5.514                  1.527
 Raman3 Fr= 1--      62.527                  9.831                 17.528
 ROA3   Fr= 1--    -803.291               -150.005                114.434
 CID3   Fr= 1--     -12.847                -15.259                  6.528
 RC180  Fr= 1--      -0.212                  0.392                 -0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.07  -0.04    -0.03   0.00   0.10    -0.02  -0.02  -0.04
     2   6    -0.01  -0.06   0.03    -0.03   0.11   0.00    -0.03   0.02   0.02
     3   6     0.08   0.07   0.02    -0.03  -0.05  -0.00     0.07   0.04   0.09
     4   6    -0.00  -0.01   0.01     0.04   0.01  -0.03     0.03  -0.00  -0.04
     5   6    -0.04   0.02   0.03     0.03  -0.01   0.01    -0.03   0.01   0.05
     6   6    -0.10  -0.03  -0.04    -0.06  -0.02  -0.02    -0.04  -0.01  -0.02
     7   8     0.02  -0.02  -0.07     0.00  -0.01  -0.04     0.01  -0.01  -0.04
     8   6    -0.00  -0.08   0.04     0.02   0.02  -0.09     0.07   0.05  -0.02
     9   6     0.03  -0.02   0.02     0.03  -0.03  -0.04    -0.11   0.00  -0.06
    10   6    -0.05  -0.02  -0.05    -0.02   0.01   0.05     0.02  -0.09   0.03
    11   6     0.02   0.04   0.11    -0.02   0.03   0.08     0.01   0.01   0.03
    12   1     0.02   0.01   0.06     0.02  -0.01   0.12    -0.09  -0.19  -0.21
    13   1    -0.01  -0.04   0.01    -0.10  -0.20  -0.07    -0.01   0.42  -0.08
    14   1     0.14   0.20  -0.02     0.08  -0.12   0.01     0.22   0.19   0.05
    15   1    -0.13  -0.03  -0.15     0.12   0.13   0.01     0.15  -0.09   0.22
    16   1    -0.08  -0.04  -0.07    -0.04  -0.18  -0.04    -0.15  -0.10  -0.09
    17   1     0.02  -0.12   0.09    -0.15  -0.35   0.16     0.09   0.12  -0.00
    18   1     0.14   0.16  -0.22    -0.03  -0.16  -0.03     0.05   0.15  -0.02
    19   1     0.12   0.02  -0.08     0.10   0.14  -0.23    -0.06  -0.14   0.18
    20   1    -0.31   0.26   0.26     0.27  -0.15  -0.15     0.14  -0.21  -0.27
    21   1     0.13   0.05  -0.24     0.09  -0.10   0.02    -0.28   0.05   0.25
    22   1     0.21   0.05  -0.23    -0.14   0.04   0.20     0.00  -0.18  -0.08
    23   1     0.05  -0.01   0.02     0.20   0.04  -0.03     0.07  -0.02  -0.03
    24   1     0.06  -0.08   0.06     0.14   0.11  -0.03    -0.07  -0.01   0.06
    25   1     0.29   0.10   0.04     0.25   0.08   0.02     0.09   0.03   0.02
    26   1     0.31   0.05   0.07     0.25   0.02   0.04     0.09   0.01   0.02
    27   1    -0.15  -0.07  -0.15    -0.20  -0.10  -0.19    -0.02  -0.01  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1025.8488              1037.4578              1048.7243
 Red. masses --      1.3006                 1.6763                 1.5740
 Frc consts  --      0.8064                 1.0630                 1.0199
 IR Inten    --     19.3907                 9.2872                 3.2106
 RamAct Fr= 1--      5.7168                12.3696                38.0799
  Dep-P Fr= 1--      0.1461                 0.3409                 0.2251
  Dep-U Fr= 1--      0.2549                 0.5084                 0.3675
 Alpha2 Fr= 1--      0.0893                 0.1118                 0.4834
 Beta2  Fr= 1--      0.2429                 1.0482                 2.3325
 AlphaG Fr= 1--     -0.9005                 0.0851                 0.0264
 Gamma2 Fr= 1--     -3.8042                 1.1505                -1.4859
 Delta2 Fr= 1--     -0.1904                 0.5152                 3.2339
 Raman1 Fr= 1--      22.867                 49.478                152.320
 ROA1   Fr= 1--    -371.298                126.935                -39.159
 CID1   Fr= 1--     -16.237                  2.565                 -0.257
 Raman2 Fr= 1--       2.915                 12.578                 27.989
 ROA2   Fr= 1--     -89.778                 23.491                -61.532
 CID2   Fr= 1--     -30.800                  1.868                 -2.198
 Raman3 Fr= 1--       5.830                 25.156                 55.979
 ROA3   Fr= 1--    -371.298                126.935                -39.159
 CID3   Fr= 1--     -63.691                  5.046                 -0.700
 RC180  Fr= 1--      -0.490                  0.017                 -0.265
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.02     0.05   0.02   0.04     0.09   0.01  -0.05
     2   6     0.01   0.00  -0.01    -0.01  -0.00   0.01    -0.03  -0.06   0.05
     3   6    -0.04  -0.03  -0.03     0.06   0.09   0.02    -0.11  -0.02  -0.00
     4   6     0.01  -0.05   0.01    -0.00  -0.06   0.03     0.05  -0.00  -0.06
     5   6     0.02  -0.05   0.00    -0.02  -0.03   0.02     0.03   0.01   0.01
     6   6    -0.01   0.06  -0.02    -0.03   0.10  -0.04    -0.00   0.01  -0.01
     7   8    -0.00  -0.01   0.01     0.01  -0.02   0.00    -0.00  -0.01  -0.01
     8   6     0.03   0.00   0.04    -0.04  -0.01  -0.06    -0.02  -0.05  -0.03
     9   6     0.04   0.00  -0.00    -0.06  -0.00   0.01    -0.01   0.02   0.07
    10   6    -0.02   0.04   0.02     0.03  -0.07  -0.04    -0.00   0.05   0.01
    11   6     0.00  -0.06   0.02     0.03  -0.08   0.02    -0.02  -0.01   0.03
    12   1     0.04  -0.01   0.10    -0.05  -0.00  -0.15     0.04  -0.32   0.03
    13   1    -0.04  -0.01  -0.03     0.06   0.07   0.04     0.06   0.42   0.05
    14   1    -0.07  -0.05  -0.03     0.07   0.08   0.03    -0.03  -0.03  -0.01
    15   1     0.14   0.14   0.04    -0.19  -0.23  -0.03     0.21   0.14   0.14
    16   1    -0.08  -0.09  -0.07     0.11   0.15   0.11    -0.24  -0.07  -0.21
    17   1     0.06  -0.00   0.07    -0.09  -0.03  -0.07     0.02   0.31  -0.26
    18   1     0.10   0.15  -0.10    -0.11  -0.21   0.10    -0.14  -0.13   0.21
    19   1     0.00  -0.14   0.13     0.02   0.19  -0.20    -0.11   0.12  -0.03
    20   1    -0.12   0.02  -0.01     0.15  -0.02   0.03    -0.01   0.07   0.11
    21   1    -0.16   0.09   0.06     0.22  -0.12  -0.10     0.21  -0.08  -0.16
    22   1     0.12  -0.10  -0.19    -0.15   0.13   0.24    -0.01   0.08   0.06
    23   1    -0.03   0.55  -0.17    -0.15   0.27  -0.08     0.24  -0.02  -0.04
    24   1    -0.02   0.47  -0.16    -0.12   0.18  -0.04     0.09  -0.01   0.02
    25   1    -0.15  -0.01  -0.15    -0.27  -0.04  -0.21     0.04   0.02  -0.03
    26   1     0.17   0.12   0.11     0.20   0.18   0.17     0.11   0.02   0.03
    27   1    -0.05   0.10  -0.06     0.02   0.19  -0.01    -0.10  -0.02  -0.09
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1055.1060              1153.6606              1182.6438
 Red. masses --      1.5960                 1.6853                 1.6882
 Frc consts  --      1.0468                 1.3216                 1.3912
 IR Inten    --      2.8316                22.1074                41.9542
 RamAct Fr= 1--      5.3711                82.0232                10.8554
  Dep-P Fr= 1--      0.7448                 0.4002                 0.7067
  Dep-U Fr= 1--      0.8538                 0.5716                 0.8282
 Alpha2 Fr= 1--      0.0005                 0.6072                 0.0082
 Beta2  Fr= 1--      0.7643                 7.8141                 1.4983
 AlphaG Fr= 1--     -0.0681                 1.2520                -0.0482
 Gamma2 Fr= 1--      0.2505                 6.8395                -1.0911
 Delta2 Fr= 1--     -0.2812                -0.4188                 0.8996
 Raman1 Fr= 1--      21.485                328.093                 43.422
 ROA1   Fr= 1--      15.053                643.189                -75.955
 CID1   Fr= 1--       0.701                  1.960                 -1.749
 Raman2 Fr= 1--       9.171                 93.770                 17.980
 ROA2   Fr= 1--       8.263                167.498                -33.382
 CID2   Fr= 1--       0.901                  1.786                 -1.857
 Raman3 Fr= 1--      18.343                187.539                 35.960
 ROA3   Fr= 1--      15.053                643.189                -75.955
 CID3   Fr= 1--       0.821                  3.430                 -2.112
 RC180  Fr= 1--       0.708                  0.143                  0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.01     0.04   0.01   0.06    -0.01  -0.01  -0.03
     2   6    -0.01  -0.00   0.01    -0.06  -0.00  -0.10     0.02   0.02   0.07
     3   6     0.01   0.04  -0.00     0.09  -0.12  -0.03     0.02   0.03  -0.05
     4   6     0.02  -0.11   0.03    -0.05   0.03   0.05    -0.05  -0.00   0.04
     5   6    -0.01   0.05  -0.01    -0.00  -0.02  -0.02    -0.00  -0.01  -0.05
     6   6     0.02  -0.14   0.04    -0.04  -0.01   0.01    -0.16  -0.02   0.01
     7   8    -0.00   0.03  -0.01     0.00   0.01   0.02     0.02   0.02   0.05
     8   6    -0.01  -0.01  -0.02     0.01   0.00   0.03    -0.02  -0.01  -0.03
     9   6    -0.02   0.00   0.01     0.00   0.06  -0.01     0.00  -0.02  -0.01
    10   6     0.01  -0.02  -0.01     0.01   0.02   0.06    -0.04  -0.01  -0.00
    11   6    -0.02   0.10  -0.03     0.03   0.00  -0.02     0.08  -0.00  -0.05
    12   1    -0.01  -0.04  -0.04     0.07  -0.41   0.10    -0.00   0.02   0.02
    13   1     0.02   0.09   0.01    -0.03   0.16  -0.03    -0.02   0.07  -0.03
    14   1     0.00   0.01   0.01     0.03   0.60  -0.19     0.39  -0.17  -0.04
    15   1    -0.02  -0.05   0.02    -0.12   0.03  -0.17     0.17   0.11   0.08
    16   1     0.01   0.04   0.01    -0.13  -0.14  -0.11     0.01  -0.06   0.02
    17   1    -0.03   0.01  -0.03    -0.12  -0.07  -0.05     0.06   0.06   0.00
    18   1    -0.03  -0.07   0.03    -0.09  -0.22   0.08     0.02   0.09   0.00
    19   1     0.00   0.06  -0.06     0.00   0.17  -0.16    -0.02  -0.07   0.08
    20   1     0.03   0.01   0.02    -0.10   0.02  -0.01     0.08   0.00   0.03
    21   1     0.08  -0.04  -0.04    -0.10   0.07   0.02     0.11  -0.07  -0.04
    22   1    -0.03   0.04   0.06     0.05  -0.04  -0.08    -0.04   0.06   0.07
    23   1    -0.12   0.65  -0.21    -0.10   0.03   0.05     0.16   0.03   0.04
    24   1    -0.06   0.24  -0.07     0.13   0.09  -0.06     0.62   0.06  -0.08
    25   1     0.29   0.03   0.25    -0.04  -0.02   0.03    -0.10  -0.06   0.07
    26   1    -0.26  -0.21  -0.20    -0.06   0.01  -0.00    -0.12   0.06   0.04
    27   1     0.04  -0.21   0.07     0.10   0.04   0.09     0.30   0.14   0.26
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1203.5624              1215.3531              1233.3758
 Red. masses --      1.8657                 1.8298                 1.5772
 Frc consts  --      1.5923                 1.5924                 1.4136
 IR Inten    --     17.6000                20.5364                 3.7572
 RamAct Fr= 1--     14.7908                 4.5223                69.5490
  Dep-P Fr= 1--      0.3000                 0.5873                 0.4010
  Dep-U Fr= 1--      0.4616                 0.7400                 0.5724
 Alpha2 Fr= 1--      0.1517                 0.0137                 0.5134
 Beta2  Fr= 1--      1.1378                 0.5577                 6.6352
 AlphaG Fr= 1--      0.1888                -0.0538                 0.3557
 Gamma2 Fr= 1--      2.9648                 5.3788                 0.6135
 Delta2 Fr= 1--     -1.1162                 1.6299                 0.8768
 Raman1 Fr= 1--      59.163                 18.089                278.196
 ROA1   Fr= 1--     248.903                568.518                 86.958
 CID1   Fr= 1--       4.207                 31.429                  0.313
 Raman2 Fr= 1--      13.654                  6.693                 79.622
 ROA2   Fr= 1--      80.085                116.051                  7.710
 CID2   Fr= 1--       5.865                 17.339                  0.097
 Raman3 Fr= 1--      27.308                 13.386                159.244
 ROA3   Fr= 1--     248.903                568.518                 86.958
 CID3   Fr= 1--       9.115                 42.471                  0.546
 RC180  Fr= 1--      -0.077                  0.480                  0.145
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.03  -0.00     0.01   0.03   0.04     0.04  -0.01   0.03
     2   6     0.18  -0.04   0.05    -0.02  -0.07  -0.09    -0.07   0.03  -0.07
     3   6     0.04  -0.09  -0.04    -0.05  -0.02   0.09     0.09   0.02  -0.07
     4   6    -0.02   0.03   0.03     0.06  -0.01  -0.07    -0.06   0.01   0.07
     5   6    -0.01  -0.01  -0.00     0.01  -0.00  -0.01    -0.01  -0.00   0.00
     6   6     0.04   0.00  -0.00    -0.12  -0.02   0.00     0.08   0.01   0.00
     7   8    -0.01  -0.00  -0.00     0.02   0.01   0.01    -0.01  -0.00  -0.01
     8   6    -0.08   0.03  -0.05     0.02   0.03   0.03     0.01  -0.01   0.02
     9   6    -0.05  -0.03   0.05    -0.03  -0.03   0.09    -0.00  -0.04   0.07
    10   6    -0.02   0.04  -0.05     0.06   0.02  -0.08    -0.04  -0.01  -0.05
    11   6    -0.01   0.00   0.01     0.04   0.00  -0.02    -0.02  -0.00   0.01
    12   1    -0.04  -0.02  -0.12    -0.09   0.47  -0.21    -0.05   0.33  -0.12
    13   1     0.11   0.17   0.08     0.15  -0.15   0.18     0.06  -0.00   0.09
    14   1    -0.12   0.47  -0.16    -0.32   0.16   0.06     0.39  -0.24  -0.03
    15   1     0.28   0.12   0.23     0.09  -0.08   0.21     0.46   0.15   0.37
    16   1    -0.10   0.03  -0.11    -0.22   0.16  -0.23    -0.22  -0.05  -0.19
    17   1     0.06  -0.13   0.19    -0.10  -0.13   0.02    -0.08  -0.02  -0.07
    18   1     0.13   0.17  -0.20     0.01  -0.09  -0.06    -0.07  -0.14   0.08
    19   1     0.14  -0.11   0.01     0.07   0.11  -0.13    -0.04   0.09  -0.05
    20   1     0.17   0.00   0.06    -0.05  -0.03  -0.07    -0.08   0.02  -0.00
    21   1     0.14  -0.13   0.02    -0.15   0.06   0.11    -0.05   0.05  -0.03
    22   1    -0.21   0.16   0.29    -0.01  -0.08  -0.02     0.06  -0.02  -0.08
    23   1    -0.12   0.01   0.03     0.22   0.02  -0.08    -0.18  -0.03   0.08
    24   1    -0.10   0.02  -0.01     0.17   0.04  -0.03    -0.10  -0.02   0.01
    25   1     0.01   0.01  -0.01    -0.02  -0.03   0.06     0.00   0.02  -0.04
    26   1     0.01  -0.02  -0.01    -0.03   0.05   0.03     0.01  -0.03  -0.02
    27   1    -0.06  -0.03  -0.05     0.16   0.07   0.15    -0.09  -0.04  -0.09
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1244.3785              1261.9541              1277.2339
 Red. masses --      1.8557                 1.4447                 1.4974
 Frc consts  --      1.6930                 1.3556                 1.4393
 IR Inten    --      2.4328                35.5767                 1.1178
 RamAct Fr= 1--      3.8113                23.8679                21.2559
  Dep-P Fr= 1--      0.3570                 0.2906                 0.3066
  Dep-U Fr= 1--      0.5262                 0.4503                 0.4693
 Alpha2 Fr= 1--      0.0327                 0.2518                 0.2137
 Beta2  Fr= 1--      0.3342                 1.7912                 1.6626
 AlphaG Fr= 1--      0.0965                 0.0552                 0.1134
 Gamma2 Fr= 1--      0.5795                 0.8496                 3.3402
 Delta2 Fr= 1--     -0.1537                -1.3545                 1.9687
 Raman1 Fr= 1--      15.245                 95.472                 85.024
 ROA1   Fr= 1--      50.711                 38.222                383.658
 CID1   Fr= 1--       3.326                  0.400                  4.512
 Raman2 Fr= 1--       4.011                 21.494                 19.951
 ROA2   Fr= 1--      15.137                 31.227                 64.416
 CID2   Fr= 1--       3.774                  1.453                  3.229
 Raman3 Fr= 1--       8.022                 42.989                 39.901
 ROA3   Fr= 1--      50.711                 38.222                383.658
 CID3   Fr= 1--       6.322                  0.889                  9.615
 RC180  Fr= 1--       0.052                 -0.099                 -0.061
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.00    -0.00  -0.00  -0.02     0.03  -0.01  -0.02
     2   6     0.07   0.18  -0.05    -0.01   0.00   0.05    -0.08   0.03   0.06
     3   6    -0.01  -0.01   0.04    -0.06  -0.02  -0.00    -0.02  -0.07   0.06
     4   6     0.02   0.00  -0.02    -0.07  -0.01   0.02    -0.02  -0.01  -0.02
     5   6     0.01   0.00   0.00    -0.03  -0.01  -0.00    -0.01  -0.00   0.01
     6   6    -0.03  -0.01   0.00     0.09   0.02   0.00     0.04   0.01   0.00
     7   8     0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.01  -0.00  -0.00
     8   6    -0.03  -0.07   0.02     0.00   0.00  -0.01     0.03  -0.01  -0.01
     9   6    -0.07   0.10   0.01    -0.04   0.00  -0.01     0.04   0.00  -0.01
    10   6     0.03  -0.06  -0.04     0.12   0.02   0.02    -0.07  -0.01  -0.11
    11   6     0.01   0.00  -0.00    -0.03  -0.00   0.01    -0.01   0.00   0.01
    12   1    -0.00  -0.44  -0.10    -0.06   0.17  -0.09     0.03   0.11   0.08
    13   1     0.12  -0.54   0.17     0.09  -0.32   0.09    -0.03  -0.16  -0.01
    14   1    -0.08   0.03   0.04     0.47   0.20  -0.09     0.13   0.53  -0.08
    15   1     0.17  -0.10   0.27    -0.31  -0.17  -0.20     0.21   0.05   0.21
    16   1    -0.11   0.04  -0.09    -0.31   0.03  -0.29     0.47   0.22   0.36
    17   1     0.04   0.01   0.03     0.04   0.04  -0.00     0.01   0.09  -0.08
    18   1    -0.05  -0.02   0.11     0.01   0.06   0.01    -0.02   0.03   0.07
    19   1    -0.09  -0.14   0.18    -0.02  -0.03   0.04    -0.08   0.04   0.01
    20   1    -0.13   0.13   0.19     0.05  -0.02  -0.02     0.01  -0.03  -0.05
    21   1     0.11   0.03  -0.21     0.02  -0.02   0.01    -0.01   0.01  -0.01
    22   1     0.12   0.13  -0.07    -0.00  -0.01  -0.01     0.04  -0.04  -0.06
    23   1     0.01  -0.01  -0.02     0.26   0.08   0.01     0.22   0.06  -0.03
    24   1    -0.04   0.00  -0.00     0.25   0.05  -0.01     0.12   0.05  -0.00
    25   1     0.00  -0.01   0.02    -0.01   0.02  -0.05    -0.01   0.01  -0.03
    26   1    -0.00   0.02   0.01    -0.00  -0.05  -0.03    -0.00  -0.03  -0.02
    27   1     0.04   0.02   0.03    -0.10  -0.05  -0.10    -0.05  -0.02  -0.04
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1291.4346              1307.3593              1339.0706
 Red. masses --      2.0109                 1.7713                 1.4373
 Frc consts  --      1.9760                 1.7837                 1.5184
 IR Inten    --     11.9040                24.3228                 0.6940
 RamAct Fr= 1--     12.1393                 2.1135                36.2945
  Dep-P Fr= 1--      0.3669                 0.5865                 0.2742
  Dep-U Fr= 1--      0.5368                 0.7393                 0.4304
 Alpha2 Fr= 1--      0.1008                 0.0065                 0.4015
 Beta2  Fr= 1--      1.0860                 0.2604                 2.6036
 AlphaG Fr= 1--      0.0986                -0.0019                -0.0146
 Gamma2 Fr= 1--     -4.6976                 0.0682                -0.2087
 Delta2 Fr= 1--     -6.1152                -0.2681                 0.4534
 Raman1 Fr= 1--      48.557                  8.454                145.178
 ROA1   Fr= 1--    -646.657                 -2.033                 -5.526
 CID1   Fr= 1--     -13.317                 -0.241                 -0.038
 Raman2 Fr= 1--      13.032                  3.125                 31.244
 ROA2   Fr= 1--     -63.821                  3.780                 -8.636
 CID2   Fr= 1--      -4.897                  1.210                 -0.276
 Raman3 Fr= 1--      26.065                  6.250                 62.487
 ROA3   Fr= 1--    -646.657                 -2.033                 -5.526
 CID3   Fr= 1--     -24.810                 -0.325                 -0.088
 RC180  Fr= 1--       0.074                  0.479                 -0.139
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.07  -0.02     0.02   0.01  -0.04     0.01   0.00  -0.01
     2   6    -0.03   0.20   0.05    -0.10  -0.06   0.16    -0.02  -0.00   0.03
     3   6     0.01  -0.06  -0.01     0.04  -0.02  -0.08     0.04   0.01  -0.01
     4   6     0.03   0.01  -0.01     0.05   0.00   0.02     0.01   0.04   0.12
     5   6     0.02   0.00   0.01     0.05   0.01   0.01    -0.02  -0.04  -0.13
     6   6    -0.04  -0.01   0.00    -0.07  -0.01  -0.00    -0.03  -0.00   0.00
     7   8     0.01   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     8   6     0.00  -0.07  -0.01     0.02   0.03  -0.04     0.00   0.00  -0.01
     9   6     0.01  -0.16  -0.00     0.01   0.06  -0.03    -0.00   0.00  -0.01
    10   6     0.04   0.03   0.03     0.01   0.01   0.01    -0.00  -0.00   0.01
    11   6     0.01   0.00  -0.01     0.01  -0.00  -0.01     0.02   0.00  -0.00
    12   1    -0.09   0.53  -0.12     0.01   0.05   0.06    -0.01   0.02   0.03
    13   1    -0.09   0.35  -0.12     0.05  -0.56   0.08     0.02  -0.05   0.01
    14   1    -0.24   0.27  -0.06    -0.18   0.10  -0.09    -0.12  -0.00   0.01
    15   1    -0.20  -0.06  -0.12     0.09   0.03   0.07     0.02   0.02  -0.00
    16   1    -0.08  -0.08  -0.10    -0.19  -0.05  -0.17    -0.05  -0.02  -0.03
    17   1     0.07   0.13  -0.05     0.04   0.16  -0.10     0.01   0.01  -0.01
    18   1    -0.04   0.07   0.16     0.04   0.11   0.01    -0.01   0.02   0.04
    19   1    -0.14  -0.04   0.10    -0.05   0.06  -0.04    -0.04   0.01   0.01
    20   1    -0.05   0.08   0.11     0.14  -0.11  -0.13     0.02  -0.01  -0.01
    21   1     0.08   0.02  -0.17     0.07  -0.07   0.05     0.02  -0.01   0.00
    22   1     0.10   0.12  -0.04    -0.03  -0.10  -0.03    -0.01  -0.01  -0.00
    23   1    -0.21  -0.01  -0.01    -0.52  -0.06   0.01     0.70   0.16   0.12
    24   1    -0.14   0.01   0.00    -0.22  -0.03   0.02    -0.60  -0.14  -0.11
    25   1     0.02  -0.01   0.03     0.03  -0.02   0.05    -0.02  -0.02   0.03
    26   1     0.01   0.03   0.02     0.02   0.05   0.03    -0.02   0.03   0.02
    27   1     0.05   0.02   0.05     0.07   0.04   0.07     0.03   0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1377.9735              1392.4718              1405.9125
 Red. masses --      1.3209                 1.5796                 1.2727
 Frc consts  --      1.4777                 1.8046                 1.4822
 IR Inten    --      3.9951                96.3392                 7.9052
 RamAct Fr= 1--      3.2039                 8.5603                 1.3664
  Dep-P Fr= 1--      0.4831                 0.1617                 0.4216
  Dep-U Fr= 1--      0.6515                 0.2783                 0.5932
 Alpha2 Fr= 1--      0.0171                 0.1285                 0.0094
 Beta2  Fr= 1--      0.3479                 0.3971                 0.1351
 AlphaG Fr= 1--      0.0248                 0.0581                -0.0251
 Gamma2 Fr= 1--      0.1835                 0.7121                -0.6424
 Delta2 Fr= 1--      0.1917                 0.1130                -0.0757
 Raman1 Fr= 1--      12.816                 34.241                  5.465
 ROA1   Fr= 1--      23.753                 71.981                -64.096
 CID1   Fr= 1--       1.853                  2.102                -11.727
 Raman2 Fr= 1--       4.175                  4.765                  1.621
 ROA2   Fr= 1--       2.872                 16.188                -14.813
 CID2   Fr= 1--       0.688                  3.397                 -9.139
 Raman3 Fr= 1--       8.349                  9.531                  3.242
 ROA3   Fr= 1--      23.753                 71.981                -64.096
 CID3   Fr= 1--       2.845                  7.552                -19.771
 RC180  Fr= 1--       0.303                 -0.443                  0.186
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00    -0.00   0.01  -0.00     0.03   0.06  -0.06
     2   6     0.02  -0.01  -0.03     0.02  -0.01  -0.03    -0.02  -0.01   0.03
     3   6    -0.09  -0.02   0.01    -0.11  -0.02   0.01     0.02   0.00  -0.01
     4   6     0.02   0.01   0.02     0.05   0.01   0.02    -0.00  -0.00  -0.00
     5   6     0.06   0.01  -0.01     0.08   0.01  -0.01    -0.01   0.00   0.00
     6   6    -0.02  -0.00   0.01    -0.10  -0.02   0.00     0.00   0.00  -0.00
     7   8     0.00  -0.00  -0.01     0.01   0.00  -0.01    -0.00   0.00   0.00
     8   6     0.00   0.00   0.01     0.00  -0.00   0.00     0.08  -0.04  -0.08
     9   6     0.00  -0.00   0.01     0.00  -0.00   0.01     0.00   0.00  -0.01
    10   6     0.01   0.00  -0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
    11   6    -0.08  -0.03  -0.06     0.11   0.04   0.06    -0.00  -0.00  -0.00
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.02     0.00   0.02   0.02
    13   1     0.02   0.05   0.01     0.02   0.05   0.01     0.01  -0.05   0.00
    14   1     0.48   0.07  -0.05     0.50   0.08  -0.05    -0.08   0.01  -0.01
    15   1    -0.04  -0.01  -0.04    -0.04  -0.01  -0.04     0.03   0.03  -0.02
    16   1     0.06   0.08   0.05     0.06   0.08   0.05    -0.03   0.02  -0.01
    17   1    -0.01  -0.06   0.03    -0.01  -0.07   0.04    -0.00  -0.31   0.12
    18   1    -0.03  -0.05  -0.01    -0.04  -0.06  -0.00    -0.23  -0.22   0.16
    19   1     0.03  -0.04   0.03     0.03  -0.05   0.05    -0.03  -0.16   0.32
    20   1    -0.02   0.02   0.02    -0.02   0.02   0.02    -0.25   0.31   0.17
    21   1    -0.03   0.01   0.02    -0.03   0.01   0.02    -0.40   0.04   0.21
    22   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.16   0.11   0.41
    23   1    -0.12  -0.01   0.02    -0.22  -0.02   0.02    -0.02   0.01  -0.01
    24   1    -0.31  -0.05   0.01    -0.35  -0.06   0.01     0.04   0.01   0.00
    25   1     0.37  -0.07   0.28    -0.38   0.04  -0.20     0.01   0.00   0.00
    26   1     0.30   0.33   0.15    -0.33  -0.26  -0.10     0.01   0.00   0.00
    27   1     0.19   0.13   0.31    -0.13  -0.11  -0.27     0.00   0.00   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.3862              1464.8760              1474.3419
 Red. masses --      1.2281                 1.0593                 1.0480
 Frc consts  --      1.4660                 1.3392                 1.3421
 IR Inten    --      3.4443                15.0515                 9.1524
 RamAct Fr= 1--      1.6564                 9.0559                 5.5282
  Dep-P Fr= 1--      0.6547                 0.3373                 0.7494
  Dep-U Fr= 1--      0.7913                 0.5045                 0.8568
 Alpha2 Fr= 1--      0.0028                 0.0828                 0.0001
 Beta2  Fr= 1--      0.2185                 0.7614                 0.7894
 AlphaG Fr= 1--      0.0018                 0.0231                 0.0010
 Gamma2 Fr= 1--     -0.0297                 0.4036                -0.0532
 Delta2 Fr= 1--     -0.1167                 0.1135                 0.0862
 Raman1 Fr= 1--       6.626                 36.223                 22.113
 ROA1   Fr= 1--      -6.586                 42.378                 -2.345
 CID1   Fr= 1--      -0.994                  1.170                 -0.106
 Raman2 Fr= 1--       2.622                  9.137                  9.473
 ROA2   Fr= 1--       0.221                  8.778                 -1.965
 CID2   Fr= 1--       0.084                  0.961                 -0.207
 Raman3 Fr= 1--       5.243                 18.275                 18.945
 ROA3   Fr= 1--      -6.586                 42.378                 -2.345
 CID3   Fr= 1--      -1.256                  2.319                 -0.124
 RC180  Fr= 1--       0.583                  0.009                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.08  -0.07    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.01   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01    -0.00  -0.00   0.00
     5   6    -0.01  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.01  -0.00
     6   6     0.00   0.00  -0.00     0.01   0.01   0.02     0.00  -0.02   0.01
     7   8    -0.00   0.00   0.00    -0.00  -0.01  -0.02    -0.00   0.00  -0.00
     8   6    -0.06   0.04   0.05     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01  -0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.05  -0.00  -0.03     0.01  -0.05   0.02
    12   1    -0.00   0.03  -0.06     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.06   0.02  -0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.07   0.02  -0.00    -0.02  -0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.01  -0.01   0.02     0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.01  -0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1    -0.01  -0.37   0.15     0.01   0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.29  -0.32   0.15    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    19   1     0.01  -0.23   0.40     0.01  -0.00  -0.00     0.00  -0.00   0.00
    20   1     0.20  -0.24  -0.15    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.34  -0.06  -0.13     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22   1     0.10  -0.13  -0.32    -0.00  -0.00   0.00     0.00   0.00   0.00
    23   1    -0.00   0.01  -0.01    -0.00  -0.00  -0.01    -0.00   0.01  -0.00
    24   1     0.03   0.01  -0.00     0.05   0.01   0.01     0.00  -0.01   0.00
    25   1     0.00   0.00  -0.00    -0.16  -0.23   0.56     0.45   0.09  -0.15
    26   1     0.01  -0.00  -0.00    -0.27   0.44   0.35    -0.47   0.02   0.12
    27   1     0.00   0.00   0.00    -0.21  -0.15  -0.37    -0.12   0.68  -0.21
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.1675              1485.6669              1492.5499
 Red. masses --      1.0673                 1.0452                 1.0650
 Frc consts  --      1.3833                 1.3593                 1.3979
 IR Inten    --      1.5335                 0.6249                 6.0465
 RamAct Fr= 1--      6.4076                 8.8966                 6.7520
  Dep-P Fr= 1--      0.6841                 0.7316                 0.7282
  Dep-U Fr= 1--      0.8124                 0.8450                 0.8427
 Alpha2 Fr= 1--      0.0074                 0.0028                 0.0025
 Beta2  Fr= 1--      0.8676                 1.2529                 0.9483
 AlphaG Fr= 1--     -0.0371                 0.0036                 0.0122
 Gamma2 Fr= 1--     -1.8580                -0.1571                 1.9015
 Delta2 Fr= 1--     -0.4285                 0.4048                 1.0208
 Raman1 Fr= 1--      25.630                 35.586                 27.008
 ROA1   Fr= 1--    -192.082                 -2.127                215.207
 CID1   Fr= 1--      -7.494                 -0.060                  7.968
 Raman2 Fr= 1--      10.411                 15.035                 11.380
 ROA2   Fr= 1--     -41.164                 -7.009                 37.469
 CID2   Fr= 1--      -3.954                 -0.466                  3.292
 Raman3 Fr= 1--      20.822                 30.070                 22.760
 ROA3   Fr= 1--    -192.082                 -2.127                215.207
 CID3   Fr= 1--      -9.225                 -0.071                  9.455
 RC180  Fr= 1--       0.625                  0.690                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.04  -0.00  -0.02    -0.02   0.02   0.02
     2   6    -0.01  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.01   0.02
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.02   0.01     0.03   0.00   0.03    -0.00  -0.02   0.00
     9   6    -0.02  -0.00  -0.04     0.00   0.00   0.00     0.02   0.00   0.02
    10   6    -0.00   0.04  -0.02    -0.00   0.00  -0.00     0.00  -0.04   0.02
    11   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    12   1    -0.03   0.07   0.37    -0.00   0.00  -0.01     0.01  -0.02  -0.23
    13   1     0.36   0.05   0.12    -0.01  -0.01   0.00    -0.23  -0.06  -0.07
    14   1    -0.01  -0.00  -0.00     0.01   0.00  -0.00    -0.03   0.02  -0.00
    15   1    -0.15  -0.20   0.26    -0.01  -0.01   0.02     0.17   0.22  -0.28
    16   1     0.14  -0.33  -0.04     0.00  -0.03  -0.01    -0.16   0.36   0.05
    17   1    -0.03   0.17  -0.09     0.37   0.18   0.27    -0.05   0.25  -0.15
    18   1    -0.01  -0.25  -0.19    -0.18  -0.06   0.21     0.01  -0.32  -0.28
    19   1     0.23  -0.16   0.06     0.33  -0.07  -0.22     0.29  -0.21   0.08
    20   1     0.18  -0.10  -0.01    -0.36  -0.14  -0.33     0.14  -0.10  -0.03
    21   1    -0.19   0.16  -0.10     0.10   0.19  -0.31    -0.15   0.14  -0.11
    22   1     0.14   0.30   0.01    -0.17  -0.12   0.24     0.11   0.25   0.02
    23   1     0.00   0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    26   1     0.00   0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    27   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.8407              1505.4414              1509.2461
 Red. masses --      1.0917                 1.0660                 1.0658
 Frc consts  --      1.4508                 1.4234                 1.4304
 IR Inten    --      3.8785                 8.9955                 5.7837
 RamAct Fr= 1--     13.4620                 7.3156                 0.2825
  Dep-P Fr= 1--      0.5208                 0.6329                 0.4294
  Dep-U Fr= 1--      0.6849                 0.7752                 0.6009
 Alpha2 Fr= 1--      0.0601                 0.0155                 0.0019
 Beta2  Fr= 1--      1.5367                 0.9452                 0.0283
 AlphaG Fr= 1--      0.0302                -0.0423                -0.0023
 Gamma2 Fr= 1--     -0.4171                -1.0077                -0.3074
 Delta2 Fr= 1--      0.0838                 1.6259                 0.0200
 Raman1 Fr= 1--      53.848                 29.263                  1.130
 ROA1   Fr= 1--     -37.364                -44.708                -28.869
 CID1   Fr= 1--      -0.694                 -1.528                -25.545
 Raman2 Fr= 1--      18.440                 11.342                  0.340
 ROA2   Fr= 1--     -10.682                -37.192                 -7.537
 CID2   Fr= 1--      -0.579                 -3.279                -22.201
 Raman3 Fr= 1--      36.880                 22.685                  0.679
 ROA3   Fr= 1--     -37.364                -44.708                -28.869
 CID3   Fr= 1--      -1.013                 -1.971                -42.515
 RC180  Fr= 1--       0.370                  0.550                  0.202
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.00     0.01  -0.01  -0.03    -0.02  -0.01  -0.02
     2   6    -0.02   0.03  -0.02    -0.00  -0.03  -0.01    -0.03  -0.02  -0.02
     3   6     0.01  -0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.01   0.02  -0.02    -0.02  -0.02   0.02    -0.02  -0.01  -0.02
     9   6    -0.03  -0.02  -0.04    -0.02  -0.00  -0.02     0.02   0.01   0.03
    10   6     0.00  -0.04   0.01    -0.00  -0.03   0.01    -0.00   0.02  -0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   1    -0.04   0.09   0.37    -0.02   0.03   0.24     0.03  -0.04  -0.24
    13   1     0.37   0.08   0.12     0.23   0.05   0.08    -0.24  -0.06  -0.07
    14   1    -0.04   0.01   0.01    -0.02  -0.01   0.01     0.01  -0.01   0.00
    15   1     0.13   0.15  -0.20     0.13   0.16  -0.21    -0.06  -0.08   0.12
    16   1    -0.11   0.26   0.03    -0.12   0.27   0.03     0.07  -0.15  -0.02
    17   1     0.15   0.17   0.07     0.12  -0.21   0.20     0.34   0.12   0.26
    18   1    -0.09  -0.15   0.02    -0.06   0.26   0.30    -0.17   0.01   0.25
    19   1     0.24  -0.11  -0.07    -0.19   0.17  -0.10     0.24  -0.00  -0.24
    20   1    -0.01   0.19   0.20     0.24  -0.18  -0.05     0.33   0.11   0.29
    21   1     0.17  -0.28   0.26    -0.20   0.21  -0.15    -0.16  -0.13   0.27
    22   1    -0.04  -0.28  -0.17     0.17   0.37  -0.01     0.17   0.16  -0.20
    23   1    -0.00  -0.00  -0.01    -0.02  -0.00  -0.01     0.01   0.01  -0.00
    24   1     0.01   0.00   0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1674.1597              1761.9057              3020.5435
 Red. masses --      6.6567                 8.4459                 1.0348
 Frc consts  --     10.9927                15.4476                 5.5627
 IR Inten    --    253.6549               111.4582                23.6476
 RamAct Fr= 1--    818.9802                28.3071                49.6731
  Dep-P Fr= 1--      0.2730                 0.7432                 0.0913
  Dep-U Fr= 1--      0.4289                 0.8527                 0.1674
 Alpha2 Fr= 1--      9.0920                 0.0033                 0.8883
 Beta2  Fr= 1--     58.5488                 4.0228                 1.3856
 AlphaG Fr= 1--     -1.8182                 0.0280                 0.1093
 Gamma2 Fr= 1--    -25.2512                 0.4241                -2.5657
 Delta2 Fr= 1--      3.7177                 0.7850                -1.6686
 Raman1 Fr= 1--    3275.921                113.228                198.692
 ROA1   Fr= 1--   -2305.145                 65.831               -299.702
 CID1   Fr= 1--      -0.704                  0.581                 -1.508
 Raman2 Fr= 1--     702.586                 48.273                 16.627
 ROA2   Fr= 1--    -635.769                  3.897                -48.228
 CID2   Fr= 1--      -0.905                  0.081                 -2.901
 Raman3 Fr= 1--    1405.172                 96.546                 33.254
 ROA3   Fr= 1--   -2305.145                 65.831               -299.702
 CID3   Fr= 1--      -1.640                  0.682                 -9.012
 RC180  Fr= 1--      -0.142                  0.705                 -0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.02   0.01
     2   6    -0.02   0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.08  -0.02   0.01    -0.04  -0.01  -0.00    -0.00  -0.00  -0.00
     4   6     0.43   0.11   0.12     0.22   0.06   0.08    -0.00   0.00  -0.00
     5   6    -0.40  -0.10  -0.10    -0.22  -0.07  -0.11    -0.00   0.00   0.00
     6   6     0.08  -0.06  -0.25    -0.01   0.18   0.57     0.00  -0.00  -0.00
     7   8    -0.02   0.05   0.16     0.02  -0.11  -0.36    -0.00   0.00   0.00
     8   6     0.01  -0.00   0.00     0.00  -0.00  -0.00    -0.03   0.02   0.03
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.01  -0.01  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00   0.01    -0.00  -0.01  -0.04    -0.00   0.00   0.00
    12   1     0.00   0.01   0.02     0.00   0.00   0.00    -0.02  -0.00   0.00
    13   1     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    14   1     0.21   0.05  -0.01     0.10   0.01  -0.02     0.00   0.01   0.03
    15   1     0.02   0.01  -0.01     0.01   0.00   0.00     0.00  -0.01  -0.00
    16   1     0.03   0.06   0.04     0.00   0.01   0.00    -0.01  -0.00   0.01
    17   1     0.01   0.00   0.01     0.00   0.00   0.00     0.12  -0.07  -0.12
    18   1    -0.02  -0.02   0.02    -0.00  -0.01   0.00    -0.23   0.11  -0.14
    19   1     0.01   0.00  -0.01     0.01  -0.00  -0.00     0.13   0.20   0.14
    20   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.14   0.33  -0.28
    21   1    -0.01   0.00   0.01    -0.00   0.00  -0.00    -0.23  -0.40  -0.28
    22   1     0.02  -0.01  -0.02     0.00  -0.00   0.00     0.43  -0.20   0.27
    23   1    -0.49  -0.04   0.14    -0.25  -0.01   0.11    -0.00   0.00   0.00
    24   1     0.33  -0.00  -0.17     0.39   0.01  -0.16     0.00   0.00   0.00
    25   1     0.05  -0.02   0.09    -0.07   0.03  -0.16     0.00  -0.00  -0.00
    26   1     0.03   0.08   0.06    -0.04  -0.13  -0.10    -0.00  -0.00   0.00
    27   1    -0.07  -0.04  -0.10     0.13   0.08   0.18     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.2509              3029.6333              3052.0825
 Red. masses --      1.0367                 1.0378                 1.0596
 Frc consts  --      5.5939                 5.6124                 5.8155
 IR Inten    --     29.6108                 2.9150                50.3229
 RamAct Fr= 1--    275.2087               240.4825               124.7560
  Dep-P Fr= 1--      0.0309                 0.0214                 0.1310
  Dep-U Fr= 1--      0.0599                 0.0420                 0.2316
 Alpha2 Fr= 1--      5.6882                 5.0825                 2.0232
 Beta2  Fr= 1--      2.7483                 1.6814                 4.8162
 AlphaG Fr= 1--     -1.7121                 0.4631                -0.0533
 Gamma2 Fr= 1--      3.7326                 0.8353                -1.5028
 Delta2 Fr= 1--     -1.5812                -1.9684                -4.0963
 Raman1 Fr= 1--    1100.835                961.930                499.024
 ROA1   Fr= 1--     307.732                 17.202               -275.355
 CID1   Fr= 1--       0.280                  0.018                 -0.552
 Raman2 Fr= 1--      32.979                 20.177                 57.795
 ROA2   Fr= 1--     102.232                 35.794                 -3.298
 CID2   Fr= 1--       3.100                  1.774                 -0.057
 Raman3 Fr= 1--      65.959                 40.353                115.590
 ROA3   Fr= 1--     307.732                 17.202               -275.355
 CID3   Fr= 1--       4.666                  0.426                 -2.382
 RC180  Fr= 1--      -0.880                 -0.916                 -0.537
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04  -0.02     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.02
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.01   0.01   0.01     0.00  -0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.04  -0.01  -0.05
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01   0.00
    11   6    -0.00  -0.00   0.00    -0.02  -0.02  -0.04    -0.00  -0.00   0.00
    12   1    -0.07  -0.01   0.00    -0.00  -0.00   0.00     0.67   0.09  -0.01
    13   1     0.03  -0.01  -0.06     0.00  -0.00  -0.00    -0.26   0.08   0.62
    14   1     0.00   0.01   0.06     0.00  -0.00  -0.00     0.01   0.06   0.26
    15   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.05  -0.08  -0.04
    16   1    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.01  -0.00   0.01
    17   1    -0.24   0.14   0.25    -0.00   0.00   0.00    -0.01   0.00   0.01
    18   1     0.46  -0.22   0.28     0.00  -0.00   0.00     0.03  -0.02   0.02
    19   1    -0.25  -0.41  -0.28    -0.00  -0.00  -0.00    -0.02  -0.03  -0.02
    20   1     0.07   0.17  -0.15     0.00   0.00  -0.00     0.01   0.02  -0.02
    21   1    -0.11  -0.19  -0.14    -0.00  -0.00  -0.00    -0.02  -0.03  -0.02
    22   1     0.21  -0.09   0.13     0.00  -0.00  -0.00     0.00  -0.00   0.00
    23   1     0.00  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.01  -0.03
    24   1     0.00   0.00  -0.00    -0.00  -0.01  -0.02     0.00  -0.00  -0.01
    25   1    -0.00   0.00   0.00    -0.10   0.62   0.21    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.08  -0.39   0.52    -0.00   0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.30  -0.02  -0.22     0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3055.7039              3069.7934              3077.9218
 Red. masses --      1.0813                 1.0623                 1.1017
 Frc consts  --      5.9484                 5.8980                 6.1493
 IR Inten    --     14.0343                27.1131                 1.9370
 RamAct Fr= 1--     80.3815               240.4087                13.7255
  Dep-P Fr= 1--      0.2756                 0.0284                 0.6995
  Dep-U Fr= 1--      0.4321                 0.0553                 0.8232
 Alpha2 Fr= 1--      0.8857                 4.9979                 0.0121
 Beta2  Fr= 1--      5.7890                 2.2145                 1.8831
 AlphaG Fr= 1--     -0.5527                 1.3855                 0.0401
 Gamma2 Fr= 1--     10.1636                -4.8303                 4.1435
 Delta2 Fr= 1--     -3.5493                -7.5056                 1.7193
 Raman1 Fr= 1--     321.526                961.635                 54.902
 ROA1   Fr= 1--     862.125               -703.892                452.790
 CID1   Fr= 1--       2.681                 -0.732                  8.247
 Raman2 Fr= 1--      69.468                 26.574                 22.597
 ROA2   Fr= 1--     272.320                -55.883                 85.689
 CID2   Fr= 1--       3.920                 -2.103                  3.792
 Raman3 Fr= 1--     138.937                 53.148                 45.195
 ROA3   Fr= 1--     862.125               -703.892                452.790
 CID3   Fr= 1--       6.205                -13.244                 10.019
 RC180  Fr= 1--      -0.136                 -0.889                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.06  -0.02  -0.04
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.02  -0.07     0.00   0.01   0.02     0.00   0.00   0.00
     4   6    -0.00   0.00   0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6     0.01  -0.00   0.00    -0.00   0.01  -0.01     0.04   0.01   0.04
     9   6     0.01   0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
    10   6    -0.00  -0.02   0.01     0.00  -0.06   0.02     0.00  -0.00  -0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.18  -0.03   0.00     0.05   0.00  -0.00     0.04   0.01   0.00
    13   1     0.06  -0.02  -0.13    -0.06   0.02   0.16     0.01  -0.00  -0.03
    14   1     0.06   0.20   0.88    -0.02  -0.06  -0.26    -0.00  -0.01  -0.05
    15   1    -0.10   0.14   0.07    -0.37   0.51   0.24    -0.03   0.04   0.02
    16   1     0.15   0.07  -0.20     0.37   0.18  -0.50     0.01   0.00  -0.01
    17   1     0.02  -0.01  -0.02    -0.01   0.01   0.01     0.01  -0.02  -0.04
    18   1    -0.02   0.01  -0.01     0.00  -0.00   0.00     0.44  -0.22   0.26
    19   1     0.02   0.03   0.02    -0.01  -0.02  -0.02     0.24   0.42   0.28
    20   1    -0.01  -0.01   0.01    -0.02  -0.05   0.04     0.02   0.01  -0.00
    21   1     0.00   0.00   0.00    -0.01  -0.02  -0.02    -0.17  -0.32  -0.22
    22   1    -0.06   0.03  -0.04     0.08  -0.04   0.05    -0.34   0.16  -0.20
    23   1     0.00  -0.02  -0.07    -0.00   0.00   0.00    -0.00   0.00   0.01
    24   1     0.00  -0.01  -0.02    -0.00   0.00   0.01    -0.00   0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    27   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3081.4371              3083.7010              3088.4286
 Red. masses --      1.0984                 1.1010                 1.1009
 Frc consts  --      6.1451                 6.1683                 6.1871
 IR Inten    --      8.9948                52.1863                32.8646
 RamAct Fr= 1--     65.3690               169.8438                65.5336
  Dep-P Fr= 1--      0.7485                 0.7197                 0.7422
  Dep-U Fr= 1--      0.8562                 0.8370                 0.8520
 Alpha2 Fr= 1--      0.0016                 0.0888                 0.0087
 Beta2  Fr= 1--      9.3279                23.6925                 9.3058
 AlphaG Fr= 1--     -0.0258                 0.2340                -0.0454
 Gamma2 Fr= 1--     -2.0007                -1.2614                 6.6065
 Delta2 Fr= 1--      1.0577                11.3692                -4.6777
 Raman1 Fr= 1--     261.476                679.375                262.135
 ROA1   Fr= 1--    -158.221                242.719                484.538
 CID1   Fr= 1--      -0.605                  0.357                  1.848
 Raman2 Fr= 1--     111.935                284.310                111.670
 ROA2   Fr= 1--     -56.478               -121.228                195.977
 CID2   Fr= 1--      -0.505                 -0.426                  1.755
 Raman3 Fr= 1--     223.871                568.620                223.339
 ROA3   Fr= 1--    -158.221                242.719                484.538
 CID3   Fr= 1--      -0.707                  0.427                  2.170
 RC180  Fr= 1--       0.712                  0.674                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.04  -0.01  -0.03    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6     0.00   0.00   0.00    -0.05  -0.02  -0.05    -0.01  -0.08   0.04
     9   6    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.01   0.00  -0.01
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    11   6     0.02  -0.09   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.00   0.00  -0.00    -0.04  -0.00   0.00    -0.06  -0.01  -0.00
    13   1     0.00  -0.00  -0.00    -0.02   0.01   0.05    -0.03   0.01   0.07
    14   1    -0.00  -0.00  -0.00     0.00   0.01   0.04    -0.00  -0.01  -0.04
    15   1    -0.00   0.00   0.00     0.02  -0.03  -0.01    -0.06   0.08   0.04
    16   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00  -0.02
    17   1    -0.00   0.00   0.00     0.02  -0.02  -0.03     0.04  -0.02  -0.04
    18   1    -0.00   0.00  -0.00     0.34  -0.17   0.21     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00     0.19   0.32   0.21    -0.01  -0.01  -0.01
    20   1    -0.00  -0.00   0.00    -0.02  -0.02   0.00     0.26   0.60  -0.54
    21   1    -0.01  -0.01  -0.01     0.22   0.41   0.29     0.16   0.26   0.21
    22   1    -0.01   0.00  -0.00     0.44  -0.21   0.26    -0.28   0.11  -0.16
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.01    -0.00   0.00   0.01
    24   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.10   0.65   0.25    -0.00   0.01   0.00    -0.00   0.00   0.00
    26   1    -0.08   0.40  -0.58    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    27   1     0.00  -0.02   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3092.9883              3102.3552              3117.8925
 Red. masses --      1.1084                 1.0997                 1.1078
 Frc consts  --      6.2473                 6.2359                 6.3448
 IR Inten    --     16.8636                24.8932                39.5229
 RamAct Fr= 1--     72.7657                54.5646               112.7116
  Dep-P Fr= 1--      0.6536                 0.7488                 0.6300
  Dep-U Fr= 1--      0.7905                 0.8563                 0.7730
 Alpha2 Fr= 1--      0.1257                 0.0011                 0.2458
 Beta2  Fr= 1--      9.5871                 7.7877                14.5213
 AlphaG Fr= 1--     -0.0921                -0.0031                 0.1504
 Gamma2 Fr= 1--    -27.7980                 8.1998                30.2562
 Delta2 Fr= 1--    -15.5273                -3.2268                18.7991
 Raman1 Fr= 1--     291.063                218.259                450.846
 ROA1   Fr= 1--   -3165.484                683.922               3506.171
 CID1   Fr= 1--     -10.876                  3.134                  7.777
 Raman2 Fr= 1--     115.046                 93.452                174.255
 ROA2   Fr= 1--    -542.934                222.610                575.757
 CID2   Fr= 1--      -4.719                  2.382                  3.304
 Raman3 Fr= 1--     230.092                186.905                348.511
 ROA3   Fr= 1--   -3165.484                683.922               3506.171
 CID3   Fr= 1--     -13.757                  3.659                 10.060
 RC180  Fr= 1--       0.581                  0.713                  0.546
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.05  -0.05  -0.05     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.01  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     9   6    -0.07  -0.00   0.05     0.01   0.00  -0.01     0.03  -0.00  -0.02
    10   6     0.02  -0.02  -0.02    -0.01   0.00   0.01     0.06  -0.02  -0.06
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.65   0.09   0.01    -0.09  -0.01  -0.00    -0.24  -0.03  -0.01
    13   1     0.22  -0.08  -0.57    -0.03   0.01   0.09    -0.10   0.04   0.27
    14   1     0.00   0.01   0.04    -0.00  -0.00  -0.01     0.01   0.01   0.06
    15   1    -0.17   0.25   0.11     0.04  -0.07  -0.03    -0.32   0.47   0.20
    16   1    -0.12  -0.06   0.16     0.04   0.02  -0.05    -0.38  -0.20   0.52
    17   1    -0.09   0.05   0.10    -0.57   0.31   0.60    -0.03   0.01   0.03
    18   1    -0.03   0.02  -0.02    -0.19   0.09  -0.14    -0.01   0.00  -0.01
    19   1     0.03   0.04   0.02     0.16   0.23   0.15     0.01   0.01   0.01
    20   1     0.02   0.04  -0.04     0.01   0.03  -0.03    -0.02  -0.05   0.05
    21   1     0.04   0.07   0.05     0.01   0.01   0.01    -0.01  -0.02  -0.02
    22   1     0.04  -0.02   0.02    -0.03   0.01  -0.01     0.01  -0.00   0.01
    23   1     0.00  -0.00  -0.01     0.01  -0.03  -0.10     0.00  -0.04  -0.11
    24   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3138.0357              3145.2780              3150.3690
 Red. masses --      1.0887                 1.1005                 1.0884
 Frc consts  --      6.3165                 6.4143                 6.3643
 IR Inten    --      1.7773                11.5884                16.1236
 RamAct Fr= 1--     56.7928                96.2742                37.9289
  Dep-P Fr= 1--      0.2249                 0.5283                 0.4342
  Dep-U Fr= 1--      0.3672                 0.6914                 0.6055
 Alpha2 Fr= 1--      0.7214                 0.4137                 0.2475
 Beta2  Fr= 1--      3.4759                11.0937                 3.8273
 AlphaG Fr= 1--     -0.2244                -0.1532                 0.2813
 Gamma2 Fr= 1--      1.3928                -0.4454                -0.7774
 Delta2 Fr= 1--      1.1059                -0.1220                -1.1325
 Raman1 Fr= 1--     227.171                385.097                151.716
 ROA1   Fr= 1--     169.099                -46.659               -110.875
 CID1   Fr= 1--       0.744                 -0.121                 -0.731
 Raman2 Fr= 1--      41.711                133.125                 45.928
 ROA2   Fr= 1--      24.581                 -9.713                 -9.598
 CID2   Fr= 1--       0.589                 -0.073                 -0.209
 Raman3 Fr= 1--      83.421                266.249                 91.856
 ROA3   Fr= 1--     169.099                -46.659               -110.875
 CID3   Fr= 1--       2.027                 -0.175                 -1.207
 RC180  Fr= 1--      -0.266                  0.383                  0.211
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.02  -0.08     0.00  -0.00  -0.00     0.00  -0.01  -0.02
     5   6     0.00   0.01   0.02    -0.00  -0.00  -0.01    -0.00  -0.02  -0.08
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00    -0.06   0.01   0.06     0.01  -0.00  -0.01
    12   1    -0.02  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
    13   1    -0.02   0.01   0.05    -0.00   0.00   0.00    -0.01   0.00   0.01
    14   1     0.00   0.02   0.07    -0.00   0.00   0.01    -0.00   0.01   0.05
    15   1    -0.04   0.06   0.02    -0.00   0.00   0.00    -0.01   0.01   0.00
    16   1    -0.03  -0.02   0.04    -0.00  -0.00   0.00    -0.01  -0.00   0.01
    17   1    -0.06   0.03   0.07    -0.00   0.00   0.00    -0.02   0.01   0.02
    18   1    -0.01   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.01   0.02   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    20   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   1    -0.05   0.28   0.90    -0.00   0.01   0.04    -0.01   0.08   0.25
    24   1     0.00  -0.08  -0.26     0.00   0.05   0.15     0.00   0.28   0.90
    25   1     0.00  -0.00  -0.00     0.03  -0.23  -0.07    -0.01   0.05   0.02
    26   1    -0.00   0.00  -0.00    -0.04   0.15  -0.19     0.01  -0.03   0.04
    27   1    -0.00  -0.00   0.00     0.75  -0.03  -0.52    -0.12   0.01   0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   799.028963580.371193676.58511
           X            0.99991   0.00265   0.01295
           Y           -0.00263   1.00000  -0.00120
           Z           -0.01295   0.00117   0.99992
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10840     0.02419     0.02356
 Rotational constants (GHZ):           2.25867     0.50407     0.49087
 Zero-point vibrational energy     621656.6 (Joules/Mol)
                                  148.57950 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     52.79    93.25   105.95   166.49   202.40
          (Kelvin)            218.39   314.08   352.06   376.30   392.49
                              480.36   516.50   522.32   597.19   633.58
                              700.75   846.08   889.94   902.89  1050.51
                             1188.19  1238.05  1259.88  1287.54  1335.89
                             1363.13  1375.21  1381.93  1412.24  1433.68
                             1475.97  1492.67  1508.88  1518.06  1659.86
                             1701.56  1731.66  1748.62  1774.55  1790.38
                             1815.67  1837.65  1858.09  1881.00  1926.62
                             1982.60  2003.46  2022.79  2047.94  2107.63
                             2121.25  2133.95  2137.54  2147.45  2160.81
                             2165.99  2171.47  2408.74  2534.99  4345.89
                             4354.10  4358.97  4391.27  4396.48  4416.75
                             4428.44  4433.50  4436.76  4443.56  4450.12
                             4463.60  4485.95  4514.93  4525.35  4532.68
 
 Zero-point correction=                           0.236777 (Hartree/Particle)
 Thermal correction to Energy=                    0.249324
 Thermal correction to Enthalpy=                  0.250268
 Thermal correction to Gibbs Free Energy=         0.197657
 Sum of electronic and zero-point Energies=           -465.873494
 Sum of electronic and thermal Energies=              -465.860947
 Sum of electronic and thermal Enthalpies=            -465.860003
 Sum of electronic and thermal Free Energies=         -465.912614
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.453             46.447            110.730
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.732
 Vibrational            154.676             40.486             39.030
 Vibration     1          0.594              1.982              5.430
 Vibration     2          0.597              1.971              4.305
 Vibration     3          0.599              1.966              4.054
 Vibration     4          0.608              1.936              3.171
 Vibration     5          0.615              1.913              2.795
 Vibration     6          0.619              1.901              2.650
 Vibration     7          0.646              1.813              1.973
 Vibration     8          0.660              1.772              1.768
 Vibration     9          0.669              1.743              1.651
 Vibration    10          0.676              1.723              1.578
 Vibration    11          0.715              1.608              1.241
 Vibration    12          0.734              1.557              1.126
 Vibration    13          0.737              1.548              1.109
 Vibration    14          0.778              1.438              0.909
 Vibration    15          0.800              1.382              0.825
 Vibration    16          0.843              1.279              0.691
 Vibration    17          0.945              1.057              0.471
 Vibration    18          0.978              0.993              0.419
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.121392D-90        -90.915808       -209.341385
 Total V=0       0.985665D+18         17.993730         41.432093
 Vib (Bot)       0.141790-104       -104.848355       -241.422260
 Vib (Bot)    1  0.564095D+01          0.751352          1.730052
 Vib (Bot)    2  0.318447D+01          0.503037          1.158284
 Vib (Bot)    3  0.279924D+01          0.447041          1.029349
 Vib (Bot)    4  0.176774D+01          0.247419          0.569704
 Vib (Bot)    5  0.144517D+01          0.159920          0.368229
 Vib (Bot)    6  0.133516D+01          0.125532          0.289048
 Vib (Bot)    7  0.906783D+00         -0.042497         -0.097852
 Vib (Bot)    8  0.799603D+00         -0.097126         -0.223640
 Vib (Bot)    9  0.742082D+00         -0.129548         -0.298296
 Vib (Bot)   10  0.707439D+00         -0.150311         -0.346103
 Vib (Bot)   11  0.558311D+00         -0.253124         -0.582840
 Vib (Bot)   12  0.510920D+00         -0.291647         -0.671543
 Vib (Bot)   13  0.503874D+00         -0.297678         -0.685429
 Vib (Bot)   14  0.424627D+00         -0.371992         -0.856544
 Vib (Bot)   15  0.392455D+00         -0.406210         -0.935333
 Vib (Bot)   16  0.341310D+00         -0.466851         -1.074964
 Vib (Bot)   17  0.257035D+00         -0.590007         -1.358541
 Vib (Bot)   18  0.236792D+00         -0.625634         -1.440575
 Vib (V=0)       0.115128D+05          4.061182          9.351218
 Vib (V=0)    1  0.616306D+01          0.789797          1.818574
 Vib (V=0)    2  0.372348D+01          0.570949          1.314659
 Vib (V=0)    3  0.334355D+01          0.524207          1.207032
 Vib (V=0)    4  0.233710D+01          0.368676          0.848909
 Vib (V=0)    5  0.202922D+01          0.307330          0.707654
 Vib (V=0)    6  0.192571D+01          0.284590          0.655294
 Vib (V=0)    7  0.153550D+01          0.186249          0.428854
 Vib (V=0)    8  0.144306D+01          0.159285          0.366767
 Vib (V=0)    9  0.139481D+01          0.144515          0.332758
 Vib (V=0)   10  0.136630D+01          0.135545          0.312104
 Vib (V=0)   11  0.124947D+01          0.096727          0.222722
 Vib (V=0)   12  0.121487D+01          0.084530          0.194637
 Vib (V=0)   13  0.120985D+01          0.082732          0.190497
 Vib (V=0)   14  0.115598D+01          0.062950          0.144947
 Vib (V=0)   15  0.113563D+01          0.055236          0.127185
 Vib (V=0)   16  0.110539D+01          0.043514          0.100195
 Vib (V=0)   17  0.106220D+01          0.026206          0.060341
 Vib (V=0)   18  0.105324D+01          0.022526          0.051867
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.116095D+07          6.064813         13.964748
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004807    0.000003208    0.000001796
      2        6           0.000012206    0.000002675   -0.000008426
      3        6          -0.000016537   -0.000001790    0.000008671
      4        6          -0.000000905    0.000000232   -0.000001319
      5        6          -0.000010355    0.000001729   -0.000002632
      6        6           0.000007774    0.000005198    0.000002837
      7        8           0.000001680   -0.000000345   -0.000003986
      8        6           0.000001780   -0.000002563   -0.000006244
      9        6          -0.000011527    0.000004764   -0.000000858
     10        6           0.000015185   -0.000007969    0.000002242
     11        6           0.000003111   -0.000004414   -0.000012246
     12        1          -0.000003612   -0.000001260   -0.000001459
     13        1          -0.000003177   -0.000001901    0.000000431
     14        1           0.000005451   -0.000000307    0.000002442
     15        1          -0.000000249   -0.000004247    0.000001284
     16        1           0.000000007    0.000000079   -0.000001757
     17        1           0.000000653   -0.000001257   -0.000001023
     18        1          -0.000000564    0.000001054    0.000000739
     19        1           0.000002772    0.000003426    0.000002259
     20        1          -0.000000546    0.000000310    0.000004049
     21        1          -0.000000536    0.000002522    0.000005005
     22        1          -0.000001380   -0.000000622    0.000001115
     23        1           0.000004011   -0.000002699   -0.000001481
     24        1          -0.000000966   -0.000000967    0.000002267
     25        1          -0.000000327    0.000003181    0.000003577
     26        1           0.000000452    0.000001123    0.000004088
     27        1           0.000000404    0.000000841   -0.000001372
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016537 RMS     0.000004688
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.180646D+03  0.591379D+01  0.302956D+01
      2   0.591379D+01  0.112194D+03  0.317624D+01
      3   0.302956D+01  0.317624D+01  0.116003D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.750149D+01 -0.885335D+01  0.557320D+01
      2   0.355187D+02 -0.966409D+01  0.396631D+01
      3   0.275229D+02 -0.426314D+02  0.153473D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.916202D+02 -0.298853D+02 -0.237324D+01
      2   0.774721D+02  0.656041D+01  0.968658D+01
      3   0.141481D+02  0.233249D+02 -0.731333D+01
      4  -0.425871D+02  0.999756D+02 -0.278034D+02
      5  -0.365231D+02 -0.305497D+02  0.564430D+01
      6  -0.135257D+02 -0.200227D+02 -0.129693D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.389399D+01  0.240858D+01 -0.420150D+01  0.140480D+01  0.367372D+00
      2   0.240858D+01  0.131641D+00  0.411144D+01  0.367372D+00  0.327322D+01
      3  -0.420150D+01  0.411144D+01  0.135464D+00  0.410163D+01  0.175716D+01
                 6             7             8             9            10 
      1   0.410163D+01 -0.425851D+01  0.408017D+01  0.278893D+00  0.272805D+02
      2   0.175716D+01  0.408017D+01  0.253373D+01  0.189556D-01 -0.409565D+01
      3  -0.100279D+01  0.278893D+00  0.189556D-01 -0.208461D+01  0.427818D+01
                11            12            13            14            15 
      1  -0.409565D+01  0.427818D+01 -0.104698D+02  0.275698D+01 -0.484781D+01
      2   0.854428D+00 -0.383140D+01  0.275698D+01 -0.462301D+01 -0.342111D+01
      3  -0.383140D+01 -0.802402D+00 -0.484781D+01 -0.342111D+01 -0.449602D+00
                16            17            18            19            20 
      1   0.203843D+02 -0.527195D+01  0.135964D+00 -0.519658D+02 -0.834829D+00
      2  -0.527195D+01 -0.291215D+01  0.416971D-01 -0.834829D+00 -0.514472D+01
      3   0.135964D+00  0.416971D-01  0.911163D+00 -0.159187D+01  0.121534D+01
                21            22            23            24            25 
      1  -0.159187D+01  0.685331D+01 -0.104634D+02  0.248281D+01 -0.867925D+01
      2   0.121534D+01 -0.104634D+02 -0.123759D+01 -0.737173D+00  0.214728D+01
      3  -0.404805D-01  0.248281D+01 -0.737173D+00  0.251610D+01  0.605090D+00
                26            27            28            29            30 
      1   0.214728D+01  0.605090D+00  0.686726D+02  0.399181D+01 -0.199083D+00
      2  -0.182594D+01  0.243103D+01  0.399181D+01  0.360756D+01 -0.683480D+00
      3   0.243103D+01  0.488160D+01 -0.199083D+00 -0.683480D+00  0.155252D+01
                31            32            33            34            35 
      1   0.122539D+02  0.696925D+01 -0.195179D+01  0.874765D+01 -0.619610D+00
      2   0.696925D+01  0.309377D+01 -0.359423D+00 -0.619610D+00  0.133419D+01
      3  -0.195179D+01 -0.359423D+00 -0.118419D+01  0.177838D+01 -0.166566D+01
                36            37            38            39            40 
      1   0.177838D+01 -0.593814D+02 -0.337135D+01  0.316112D+01 -0.132698D+02
      2  -0.166566D+01 -0.337135D+01 -0.201558D+01  0.880525D+00 -0.466415D+01
      3  -0.326975D+01  0.316112D+01  0.880525D+00 -0.124824D+01  0.137283D+01
                41            42            43            44            45 
      1  -0.466415D+01  0.137283D+01 -0.127264D+02 -0.814932D+00 -0.403933D+01
      2  -0.233113D+01 -0.757864D+00 -0.814932D+00 -0.218342D+01  0.182463D+01
      3  -0.757864D+00  0.190150D+01 -0.403933D+01  0.182463D+01  0.273583D+01
                46            47            48            49            50 
      1   0.176404D+02  0.127918D+01 -0.206332D+01 -0.560463D+01 -0.101346D+01
      2   0.127918D+01 -0.113095D+01  0.395131D+00 -0.101346D+01 -0.599708D+00
      3  -0.206332D+01  0.395131D+00 -0.405996D+00  0.350838D+01 -0.719698D+00
                51            52            53            54            55 
      1   0.350838D+01 -0.279780D+02  0.123028D+01  0.975263D+01 -0.460775D+01
      2  -0.719698D+00  0.123028D+01  0.623941D+00 -0.855524D+00  0.567205D+00
      3  -0.156422D+01  0.975263D+01 -0.855524D+00 -0.615289D+01  0.232189D+01
                56            57            58            59            60 
      1   0.567205D+00  0.232189D+01  0.896837D+01 -0.186162D+01 -0.317543D+01
      2  -0.206194D+00 -0.585759D+00 -0.186162D+01  0.174848D+01  0.298989D+01
      3  -0.585759D+00 -0.114654D+01 -0.317543D+01  0.298989D+01  0.152691D+01
                61            62            63            64            65 
      1   0.289680D+02 -0.435547D+00 -0.111142D+02 -0.960452D+01  0.262367D+01
      2  -0.435547D+00  0.111922D+01  0.114070D+01  0.262367D+01  0.272421D-01
      3  -0.111142D+02  0.114070D+01  0.111964D+02 -0.272374D+01  0.425013D+01
                66            67            68            69            70 
      1  -0.272374D+01  0.339319D+01 -0.142934D+01  0.412599D+01 -0.907756D+01
      2   0.425013D+01 -0.142934D+01  0.215907D+01  0.392616D+01  0.448470D+01
      3   0.129158D+01  0.412599D+01  0.392616D+01 -0.101252D+01 -0.747480D-01
                71            72            73            74            75 
      1   0.448470D+01 -0.747480D-01 -0.713454D+01 -0.184781D+01 -0.186011D+01
      2   0.331340D+01 -0.170261D+00 -0.184781D+01  0.237279D+01 -0.538136D+00
      3  -0.170261D+00  0.160109D+01 -0.186011D+01 -0.538136D+00  0.282996D+01
                76            77            78            79            80 
      1  -0.186379D+01  0.275404D+01 -0.743282D+00  0.649016D+00 -0.210034D+00
      2   0.275404D+01  0.556801D+01  0.351552D+01 -0.210034D+00  0.339474D+01
      3  -0.743282D+00  0.351552D+01 -0.726778D+00  0.231993D+01 -0.201390D+01
                81            82            83            84            85 
      1   0.231993D+01  0.870604D+01  0.306936D+01  0.684351D+00  0.660147D+01
      2  -0.201390D+01  0.306936D+01  0.445078D+01  0.328420D+01  0.659415D+01
      3  -0.365279D+01  0.684351D+00  0.328420D+01 -0.302420D+01  0.244949D+01
                86            87            88            89            90 
      1   0.659415D+01  0.244949D+01  0.980852D+01  0.626417D+01 -0.384099D+01
      2  -0.231425D+01  0.487536D-01  0.626417D+01  0.204600D-01 -0.425397D+00
      3   0.487536D-01  0.263254D+00 -0.384099D+01 -0.425397D+00  0.689336D+00
                91            92            93            94            95 
      1   0.120703D+01 -0.166732D+01 -0.524787D+01 -0.276332D+01  0.641165D+00
      2  -0.166732D+01 -0.111715D+01 -0.125827D+01  0.641165D+00  0.415735D+01
      3  -0.524787D+01 -0.125827D+01  0.101461D+01 -0.116060D+01  0.373388D+01
                96            97            98            99           100 
      1  -0.116060D+01 -0.816893D+01 -0.111673D+01  0.384998D+01  0.118933D+02
      2   0.373388D+01 -0.111673D+01  0.312596D+01 -0.101219D+01  0.249643D+01
      3  -0.159038D+01  0.384998D+01 -0.101219D+01  0.415683D+01  0.259857D+01
               101           102           103           104           105 
      1   0.249643D+01  0.259857D+01  0.918913D+00  0.151287D+01  0.262055D+00
      2   0.181939D+01  0.632629D+00  0.151287D+01  0.552203D+00  0.191649D+00
      3   0.632629D+00  0.146776D+01  0.262055D+00  0.191649D+00  0.201298D+00
               106           107           108           109           110 
      1   0.256543D+00  0.168135D+00  0.114493D+01 -0.821603D-01  0.440262D+00
      2   0.168135D+00 -0.249039D+00  0.523739D+00  0.440262D+00 -0.896490D+00
      3   0.114493D+01  0.523739D+00  0.107015D+01  0.959991D+00 -0.311683D+00
               111           112           113           114           115 
      1   0.959991D+00  0.884107D-01 -0.521781D-01  0.100682D+00  0.902697D+00
      2  -0.311683D+00 -0.521781D-01  0.451108D+00  0.719106D+00  0.108272D+00
      3  -0.207761D+01  0.100682D+00  0.719106D+00  0.909001D+00  0.133106D+00
               116           117           118           119           120 
      1   0.108272D+00  0.133106D+00  0.231964D-01 -0.360998D+00 -0.736779D+00
      2   0.169731D+01  0.179975D+01 -0.360998D+00  0.314951D+00 -0.103615D+00
      3   0.179975D+01  0.815145D+01 -0.736779D+00 -0.103615D+00 -0.236267D+00
               121           122           123           124           125 
      1  -0.210599D+01  0.365337D+00 -0.405673D-01 -0.115561D+01 -0.239672D-02
      2   0.365337D+00 -0.508894D+00 -0.108037D+01 -0.239672D-02 -0.109593D+01
      3  -0.405673D-01 -0.108037D+01 -0.139639D+01  0.100537D+00 -0.829973D+00
               126           127           128           129           130 
      1   0.100537D+00 -0.199737D+01  0.156733D+01  0.521041D-01 -0.515791D+00
      2  -0.829973D+00  0.156733D+01 -0.437111D+01 -0.557369D+00 -0.171460D+01
      3  -0.751866D+01  0.521041D-01 -0.557369D+00 -0.322027D+00 -0.370821D+00
               131           132           133           134           135 
      1  -0.171460D+01 -0.370821D+00  0.137269D+00 -0.782059D+00  0.222721D+00
      2   0.849677D+01  0.658291D+00 -0.782059D+00  0.239089D+01  0.139098D+01
      3   0.658291D+00  0.895642D+00  0.222721D+00  0.139098D+01  0.554331D+00
               136           137           138           139           140 
      1   0.303590D+01  0.170030D+01 -0.190031D+01 -0.421597D+00  0.119643D+01
      2   0.170030D+01  0.177326D+01 -0.154641D+01  0.119643D+01  0.264914D+01
      3  -0.190031D+01 -0.154641D+01  0.235177D+01 -0.110540D+01 -0.162920D+01
               141           142           143           144           145 
      1  -0.110540D+01 -0.536003D+01 -0.290208D+01  0.297403D+01 -0.286612D+01
      2  -0.162920D+01 -0.290208D+01 -0.315609D+01  0.267660D+01  0.418237D+00
      3   0.138926D+01  0.297403D+01  0.267660D+01 -0.441441D+01  0.191322D+01
               146           147           148           149           150 
      1   0.418237D+00  0.191322D+01  0.143917D+01 -0.838301D+00 -0.666623D+00
      2  -0.106680D+01 -0.195610D+00 -0.838301D+00  0.512749D+00  0.275819D+00
      3  -0.195610D+00 -0.247267D+01 -0.666623D+00  0.275819D+00  0.137670D+01
               151           152           153           154           155 
      1   0.158392D+01 -0.545330D+00 -0.193031D+01  0.590364D+01 -0.302343D+01
      2  -0.545330D+00  0.775504D+00 -0.341996D-01 -0.302343D+01  0.307326D+01
      3  -0.193031D+01 -0.341996D-01  0.441263D+01  0.317162D+01 -0.232895D+01
               156           157           158           159           160 
      1   0.317162D+01 -0.138445D+01  0.191120D+01 -0.142102D+01  0.177299D+01
      2  -0.232895D+01  0.191120D+01 -0.290766D+01  0.154265D+01 -0.173994D+01
      3   0.291279D+01 -0.142102D+01  0.154265D+01 -0.126675D+01  0.216428D+01
               161           162           163           164           165 
      1  -0.173994D+01  0.216428D+01 -0.125108D+01 -0.160273D+01 -0.275460D-01
      2   0.144571D+01 -0.195745D+01 -0.160273D+01 -0.258306D+01 -0.600908D+00
      3  -0.195745D+01  0.321807D+01 -0.275460D-01 -0.600908D+00 -0.655962D+00
               166           167           168           169           170 
      1  -0.110048D+01 -0.147055D+01 -0.575658D+00 -0.540857D+00 -0.880316D+00
      2  -0.147055D+01 -0.662485D+01 -0.784835D+00 -0.880316D+00 -0.313700D+01
      3  -0.575658D+00 -0.784835D+00 -0.118652D+01 -0.449938D+00 -0.108092D+01
               171           172           173           174           175 
      1  -0.449938D+00  0.295815D+01  0.716853D+00 -0.131620D+01  0.204279D+01
      2  -0.108092D+01  0.716853D+00  0.758060D+00 -0.103957D+01  0.104767D+01
      3  -0.101321D+01 -0.131620D+01 -0.103957D+01  0.132066D+01 -0.200030D+01
               176           177           178           179           180 
      1   0.104767D+01 -0.200030D+01 -0.146521D+01 -0.114688D+01  0.221866D+01
      2   0.249527D+01 -0.190847D+01 -0.114688D+01 -0.188812D+01  0.153729D+01
      3  -0.190847D+01  0.273191D+01  0.221866D+01  0.153729D+01 -0.412973D+01
               181           182           183           184           185 
      1  -0.102392D+00 -0.769615D+00 -0.216865D+00 -0.138806D+01  0.349434D+00
      2  -0.769615D+00 -0.198718D+01 -0.149107D+01  0.349434D+00 -0.537757D+01
      3  -0.216865D+00 -0.149107D+01 -0.158138D+01 -0.105104D+00 -0.313058D+01
               186           187           188           189           190 
      1  -0.105104D+00 -0.193982D+00 -0.299646D+00  0.197123D+00  0.949499D+01
      2  -0.313058D+01 -0.299646D+00 -0.284312D+01 -0.240662D+01 -0.354232D+01
      3  -0.246392D+01  0.197123D+00 -0.240662D+01 -0.323955D+01  0.114934D+01
               191           192           193           194           195 
      1  -0.354232D+01  0.114934D+01 -0.304966D+01  0.262254D+01 -0.649048D+00
      2   0.201114D+01 -0.719782D+00  0.262254D+01 -0.221019D+01  0.267952D-01
      3  -0.719782D+00  0.123455D+01 -0.649048D+00  0.267952D-01 -0.529105D+00
               196           197           198           199           200 
      1   0.610076D+01 -0.207128D+01  0.139711D+01  0.140474D+01  0.535235D+00
      2  -0.207128D+01  0.113862D+01 -0.651508D+00  0.535235D+00  0.214898D-01
      3   0.139711D+01 -0.651508D+00  0.113192D+01  0.823409D+00  0.132000D-02
               201           202           203           204           205 
      1   0.823409D+00  0.143685D+01 -0.102829D+01  0.277416D+00  0.208760D+01
      2   0.132000D-02 -0.102829D+01  0.645161D+00  0.114943D+01  0.628249D+00
      3  -0.347808D-01  0.277416D+00  0.114943D+01  0.117510D+01  0.556387D+00
               206           207           208           209           210 
      1   0.628249D+00  0.556387D+00 -0.149105D+01 -0.630049D+00 -0.125102D+01
      2   0.134974D+01  0.118700D+01 -0.630049D+00 -0.829515D-01 -0.987193D-01
      3   0.118700D+01  0.467792D+01 -0.125102D+01 -0.987193D-01  0.156469D+00
               211           212           213           214           215 
      1  -0.927152D+00  0.253813D+00 -0.709255D+00 -0.178993D+01 -0.508880D+00
      2   0.253813D+00 -0.548226D+00 -0.923367D+00 -0.508880D+00 -0.110350D+01
      3  -0.709255D+00 -0.923367D+00 -0.176669D+01 -0.901284D+00 -0.162918D+01
               216           217           218           219           220 
      1  -0.901284D+00 -0.135868D+01 -0.549768D+00  0.433287D+00 -0.382417D+01
      2  -0.162918D+01 -0.549768D+00  0.666483D+00  0.423320D+00 -0.225144D+01
      3  -0.662000D+01  0.433287D+00  0.423320D+00  0.271144D+00 -0.952197D+00
               221           222           223           224           225 
      1  -0.225144D+01 -0.952197D+00 -0.149256D+01 -0.535817D+00 -0.157252D+01
      2  -0.773754D+01 -0.284745D+01 -0.535817D+00 -0.221191D+01 -0.162535D+01
      3  -0.284745D+01 -0.204254D+01 -0.157252D+01 -0.162535D+01 -0.237469D+01
               226           227           228           229           230 
      1  -0.311087D+01  0.755180D+00 -0.553438D+00  0.269898D+01 -0.132240D+01
      2   0.755180D+00 -0.278653D+00  0.524957D+00 -0.132240D+01  0.159330D+01
      3  -0.553438D+00  0.524957D+00 -0.801175D+00  0.168760D+01 -0.231818D+01
               231           232           233           234           235 
      1   0.168760D+01 -0.407153D+01  0.328170D+00 -0.357685D+01 -0.937284D+01
      2  -0.231818D+01  0.328170D+00 -0.229537D+01  0.178268D+01 -0.273764D+00
      3   0.306486D+01 -0.357685D+01  0.178268D+01 -0.654974D+01  0.234257D+01
               236           237           238           239           240 
      1  -0.273764D+00  0.234257D+01  0.588594D+00 -0.123252D+01  0.106010D+00
      2  -0.100165D+01  0.171741D+00 -0.123252D+01 -0.374988D+00  0.826167D-01
      3   0.171741D+00 -0.168954D+01  0.106010D+00  0.826167D-01  0.230879D+00
               241           242           243 
      1   0.555921D+01  0.444006D+00 -0.232965D+01
      2   0.444006D+00  0.638161D+00  0.307469D-02
      3  -0.232965D+01  0.307469D-02  0.163129D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.583514D+01  0.966036D+01  0.669449D+01  0.919357D+01  0.998625D+01
      2  -0.877063D+01  0.188616D+01  0.781464D+01  0.737997D+01  0.161359D+01
      3  -0.433972D+01 -0.915959D+01  0.183704D+01 -0.307193D+00 -0.635036D+01
                 6             7             8             9            10 
      1  -0.123799D+01  0.653076D+01  0.622480D+01 -0.527290D+01  0.757920D+01
      2  -0.704474D+01  0.327585D+01 -0.670459D+01 -0.410539D+01  0.246262D+02
      3  -0.109817D+02  0.639737D-02 -0.136618D+02 -0.923315D+00  0.123901D+02
                11            12            13            14            15 
      1  -0.603867D+01 -0.625988D+00 -0.105013D+02 -0.582384D+01 -0.563181D+01
      2  -0.101777D+02  0.203172D+01 -0.156401D+02 -0.474053D+01 -0.158512D+01
      3  -0.291575D+01  0.843497D+01  0.684211D+01  0.118173D+02  0.123418D+02
                16            17            18            19            20 
      1   0.605725D+01  0.328975D+01 -0.574545D+00 -0.870607D+00  0.386773D+01
      2   0.716280D+01 -0.253032D+00  0.249321D+01 -0.377538D+02 -0.123594D+01
      3   0.127390D+02  0.124908D+02  0.422340D+00 -0.222116D+02 -0.400763D+01
                21            22            23            24            25 
      1  -0.139834D+01  0.163055D+02  0.464067D+01 -0.156979D+01 -0.615984D+01
      2   0.187095D+01  0.297677D+01 -0.775993D+01  0.453835D+01 -0.185839D+02
      3  -0.241843D+01  0.272765D+01 -0.904614D+01  0.303310D+01 -0.514814D+01
                26            27            28            29            30 
      1   0.523818D+01 -0.401377D+01 -0.500960D+01 -0.239846D+00  0.718210D-01
      2   0.274242D+01  0.292954D+01  0.444322D+02  0.513324D+01 -0.499768D+01
      3   0.110826D+01 -0.103409D+01  0.206342D+02  0.994668D+01 -0.162314D+01
                31            32            33            34            35 
      1  -0.420975D+01 -0.286744D+01 -0.280059D+01  0.239928D+01 -0.219428D+00
      2   0.130910D+02  0.344866D+01 -0.130681D+01 -0.154452D+02 -0.110964D+01
      3   0.384730D+02  0.803824D+01  0.463954D+00 -0.114012D+01 -0.390157D+00
                36            37            38            39            40 
      1   0.340618D+01  0.309379D+01  0.152625D+01 -0.689823D+00  0.798118D+01
      2   0.141594D+01 -0.474041D+02 -0.384006D+01  0.140202D+02 -0.145086D+02
      3  -0.467325D+00 -0.172239D+02 -0.125621D+02  0.172726D+01 -0.110280D+02
                41            42            43            44            45 
      1   0.937851D+00 -0.509559D+01  0.231745D+01  0.278209D+00  0.754868D+00
      2  -0.260905D+01 -0.107250D+01 -0.153568D+02 -0.394431D+01 -0.638086D+01
      3  -0.617992D+01 -0.931404D+00  0.323916D-01 -0.557001D-01  0.945476D+00
                46            47            48            49            50 
      1   0.595820D+00 -0.248806D+01  0.266961D+01  0.671712D+01 -0.375924D+01
      2   0.653342D+01  0.168273D+01 -0.635639D+01 -0.751346D+01  0.180866D+01
      3   0.199495D+01  0.136420D+02 -0.372292D+01  0.255808D+02  0.160321D+01
                51            52            53            54            55 
      1  -0.776920D+01  0.210530D+01 -0.389329D+01  0.225980D+01 -0.160900D+01
      2   0.664101D+01 -0.557484D+02 -0.162216D+00  0.303732D+02 -0.328265D+00
      3  -0.118161D+01 -0.622668D+01 -0.988246D+01 -0.808511D+00  0.758055D-01
                56            57            58            59            60 
      1   0.789072D+00 -0.696131D+00 -0.200124D+00  0.274613D+01 -0.141949D+01
      2   0.192069D+01  0.837958D+01  0.104681D+02 -0.873175D+01 -0.814115D+01
      3  -0.773449D+01 -0.662075D+00 -0.655961D+01  0.592417D+01  0.789803D+01
                61            62            63            64            65 
      1  -0.132927D+01  0.907728D+01 -0.392959D+00 -0.568055D+01  0.602380D+01
      2   0.354200D+02 -0.337884D+01 -0.460425D+02 -0.164701D+02  0.170531D+02
      3   0.559584D+01  0.130310D+02  0.206499D+01 -0.213740D+01 -0.465733D+01
                66            67            68            69            70 
      1  -0.490036D+01  0.865483D+01  0.296652D+01 -0.814894D+01 -0.902367D+01
      2   0.263351D+01  0.162053D+02  0.128234D+02  0.204681D+01 -0.124353D+02
      3  -0.118439D+02  0.698866D+01 -0.706771D+01 -0.197493D+02 -0.135287D+02
                71            72            73            74            75 
      1  -0.180354D+01  0.402449D+01 -0.172494D+01  0.623097D+01 -0.517978D+01
      2   0.558051D+01  0.761660D+01  0.801222D+01  0.226753D+01  0.131892D+02
      3  -0.174293D+02  0.108310D+01 -0.135437D+01 -0.143665D+02  0.647612D+00
                76            77            78            79            80 
      1   0.224207D+01  0.112481D+01  0.534389D+01 -0.412948D+01  0.101011D+02
      2   0.349995D+00  0.692434D+01 -0.277126D+01  0.485151D+01 -0.641314D+01
      3  -0.660564D+01 -0.127492D+02 -0.131336D+02  0.242677D+01 -0.123533D+02
                81            82            83            84            85 
      1   0.159873D+01 -0.420014D+01 -0.137302D+02  0.784611D+01 -0.166409D+02
      2  -0.149739D+02  0.930769D+01  0.774605D+01 -0.340462D+01  0.923578D+01
      3   0.999677D+01  0.297096D+01 -0.686926D+01 -0.592431D+01  0.811102D+01
                86            87            88            89            90 
      1   0.493988D+00 -0.368925D+01  0.499054D+01  0.242002D+01 -0.537360D+00
      2   0.512677D+01  0.224420D+01 -0.191139D+01  0.319546D+01 -0.190756D+01
      3   0.166644D+02  0.697503D+01  0.879724D+00  0.142187D+02 -0.921450D+01
                91            92            93            94            95 
      1  -0.306403D+00  0.235355D+01  0.130822D+01 -0.748023D+01 -0.300034D+01
      2   0.211863D+02  0.349738D+01 -0.462426D+01  0.428327D+01 -0.161712D+02
      3  -0.831876D+01 -0.108987D+02 -0.329219D+01  0.167300D+02  0.204560D+02
                96            97            98            99           100 
      1  -0.876271D+01  0.529898D+01 -0.137078D+01  0.405417D+01 -0.931241D+00
      2   0.759132D+01 -0.267849D+02  0.324078D+01 -0.150805D+02 -0.466735D+01
      3   0.216216D+02 -0.523364D+01  0.127822D+02 -0.730066D+01  0.670007D+01
               101           102           103           104           105 
      1   0.205529D+01 -0.183188D+01  0.162436D+00  0.872060D-01 -0.135443D+01
      2  -0.171830D+00  0.544494D+01 -0.741368D+00 -0.645163D+00  0.639648D+00
      3  -0.666667D+01  0.917394D+00 -0.219375D+00 -0.256978D-03  0.586000D+00
               106           107           108           109           110 
      1  -0.101345D+01  0.801791D-01 -0.730733D+00 -0.734715D+00 -0.188524D+01
      2   0.126698D+01  0.105934D+01  0.239315D+01  0.398186D+01 -0.130877D+01
      3   0.241242D+00  0.682415D+00 -0.167002D+00 -0.160769D+01  0.215851D+01
               111           112           113           114           115 
      1   0.236798D+01 -0.929862D+00 -0.699467D+00 -0.174549D+01  0.281776D+00
      2  -0.665818D+01 -0.474765D+00  0.266104D+01  0.237943D+01 -0.537475D+01
      3   0.190880D+01  0.207883D+01 -0.803802D+00 -0.162120D+01  0.174300D+01
               116           117           118           119           120 
      1   0.268169D+01 -0.764475D+01  0.100984D+01  0.552904D+00  0.164464D+00
      2   0.458460D+01  0.232811D+02 -0.218265D+01 -0.451820D+00  0.780166D+00
      3  -0.368797D+01 -0.490847D+01  0.342312D+00 -0.134351D+01 -0.493252D+00
               121           122           123           124           125 
      1   0.108303D+01  0.160707D+01  0.227481D+00 -0.128843D+00  0.496462D+01
      2  -0.145564D+01 -0.487184D+00 -0.164500D+01 -0.413137D+01 -0.521612D+00
      3   0.325047D+01  0.440686D+00  0.606799D+00 -0.634340D+00  0.732216D-01
               126           127           128           129           130 
      1   0.382599D+01 -0.800602D+00  0.323734D+01  0.230433D+01  0.148142D+01
      2  -0.709443D+01 -0.802018D+00 -0.712957D+00  0.355232D+00 -0.211572D+01
      3   0.725703D+00 -0.823410D+01  0.954644D+01  0.116690D+01  0.850368D+01
               131           132           133           134           135 
      1  -0.477933D+01 -0.535820D+01 -0.747870D-01 -0.268906D+01 -0.246635D+01
      2   0.336071D+00  0.337616D+00 -0.937943D+00  0.190848D+01  0.101083D+01
      3  -0.182777D+02 -0.184835D+01  0.272351D+01 -0.619773D+01 -0.203828D+01
               136           137           138           139           140 
      1   0.369470D+01  0.208550D+01 -0.575579D+01  0.233855D+01  0.200374D+01
      2  -0.594683D+00 -0.181695D+01  0.488216D+01 -0.243214D+01 -0.224444D+01
      3   0.345296D+01 -0.241655D+01 -0.102651D+01 -0.165342D+00 -0.318608D+01
               141           142           143           144           145 
      1  -0.326482D+01 -0.491426D+01 -0.121529D+01  0.968821D+01  0.608412D+01
      2   0.263203D+01 -0.325360D+00  0.295108D+01 -0.613464D+01  0.109075D+02
      3   0.502873D+00 -0.473409D+01  0.129643D+01  0.108191D+01  0.602488D+01
               146           147           148           149           150 
      1  -0.421553D+01 -0.491750D+01 -0.411031D+01  0.282558D+01  0.155510D+01
      2  -0.167054D+01 -0.530675D+01 -0.491361D+01  0.198745D+01  0.290087D+01
      3  -0.631924D+00 -0.356642D+01  0.139536D+00  0.847300D+00  0.109289D+01
               151           152           153           154           155 
      1  -0.523781D+01  0.369687D+01  0.755293D+01  0.194552D+01  0.315017D+00
      2  -0.876789D+01  0.124511D+01  0.875586D+01 -0.205973D+01 -0.119215D+01
      3  -0.358926D+01  0.152710D+01  0.415427D+01 -0.448782D+01 -0.285144D+01
               156           157           158           159           160 
      1   0.341576D+01 -0.867197D-01 -0.122430D+01 -0.218049D+01  0.140319D+01
      2   0.373833D+01  0.225239D+01  0.575006D+00 -0.683967D+00 -0.194011D+01
      3  -0.496157D+00  0.248262D+01  0.284334D+01  0.187056D+00 -0.285430D+01
               161           162           163           164           165 
      1   0.117354D+00  0.397679D+01 -0.245065D+01 -0.479195D+01 -0.347769D+01
      2  -0.762725D+00  0.375816D+01  0.194186D+01  0.155384D+01  0.197516D+00
      3   0.110228D+00 -0.318255D+00  0.791831D+01  0.653509D+01  0.145760D+01
               166           167           168           169           170 
      1  -0.333166D+01 -0.988848D+01 -0.604144D+01 -0.238755D+01 -0.421387D+01
      2   0.103186D+01  0.205905D+01  0.173629D+00 -0.119688D+01  0.122539D+00
      3   0.761907D+01  0.142581D+02  0.246914D+01  0.412167D+01  0.748238D+01
               171           172           173           174           175 
      1  -0.463704D+01 -0.253411D+01 -0.266956D+01  0.257730D+01 -0.279695D+01
      2  -0.140752D+00 -0.142327D+01 -0.250809D+01  0.421430D+01 -0.306603D+01
      3   0.307737D+01 -0.392485D+01 -0.430978D+01  0.480478D+01 -0.349497D+01
               176           177           178           179           180 
      1  -0.755449D+01  0.399860D+01  0.368090D+01  0.656253D+01 -0.564724D+01
      2  -0.558392D+01  0.769973D+01  0.334144D+01  0.405607D+01 -0.116180D+02
      3  -0.110008D+02  0.793412D+01  0.474090D+01  0.848510D+01 -0.701106D+01
               181           182           183           184           185 
      1   0.734651D+00  0.633918D+00 -0.116324D+01  0.117635D-01  0.263669D+01
      2  -0.249005D+01 -0.570329D+01 -0.424734D+01 -0.311251D+01 -0.106762D+02
      3   0.467926D+01  0.644656D+01  0.507129D+01  0.307063D+01  0.174243D+02
               186           187           188           189           190 
      1  -0.232556D+01  0.667568D+00  0.207209D+01 -0.257201D+01  0.509098D+01
      2  -0.858418D+01 -0.173852D+01 -0.858831D+01 -0.103161D+02  0.120334D+02
      3   0.107601D+02  0.271546D+01  0.104592D+02  0.837804D+01  0.642190D+00
               191           192           193           194           195 
      1  -0.280189D+01  0.345376D+01 -0.309625D+01  0.185638D+01 -0.195349D+01
      2  -0.587202D+01  0.861492D+01 -0.503625D+01  0.228238D+01 -0.378717D+01
      3  -0.612979D+01  0.110973D+01 -0.318582D+01  0.554642D+01  0.762668D+00
               196           197           198           199           200 
      1   0.334154D+01 -0.532990D+00  0.240530D+01  0.253418D+00 -0.515189D+00
      2   0.762043D+01 -0.356246D+01  0.615763D+01  0.100340D+01  0.290625D+00
      3   0.239201D+01 -0.269518D+01  0.608869D+00  0.999279D+00  0.527613D-01
               201           202           203           204           205 
      1   0.684820D-01 -0.418811D+01  0.131905D+00 -0.112475D+01  0.473988D+00
      2  -0.648407D+00 -0.162218D+01 -0.227926D+01 -0.517246D-01 -0.444584D+01
      3   0.446817D+00  0.604766D+00  0.382116D+00  0.954020D+00  0.228376D+01
               206           207           208           209           210 
      1   0.287619D+01 -0.363774D+01  0.156415D+01  0.879014D-01  0.120570D-01
      2   0.677918D+00 -0.299187D+01  0.139436D+01 -0.344051D+00 -0.626893D+00
      3   0.164393D+01 -0.365846D-01 -0.304844D+01 -0.988049D+00 -0.828466D-01
               211           212           213           214           215 
      1  -0.625398D+01  0.540011D+00  0.127393D+00  0.198446D+01  0.447958D+01
      2   0.183254D+01  0.186213D+01  0.266995D+01 -0.332419D+01  0.254078D+01
      3   0.104635D+02  0.465843D-02 -0.205125D+01 -0.323974D+01 -0.271145D+01
               216           217           218           219           220 
      1   0.391074D+00 -0.345647D+00 -0.735979D+00 -0.236664D+00  0.240260D+01
      2   0.108403D+02 -0.149206D+01 -0.204298D+01  0.557805D+00 -0.762824D+00
      3  -0.323015D+01  0.877030D+00  0.337899D+01  0.224617D+01 -0.929467D+01
               221           222           223           224           225 
      1   0.616123D+01 -0.100253D+00  0.149725D+00  0.234820D+01  0.640311D-01
      2   0.101454D+02  0.778426D+01  0.395356D+01  0.619037D+01  0.810540D+01
      3  -0.349831D+02 -0.136737D+02 -0.153710D+01 -0.985050D+01 -0.721474D+01
               226           227           228           229           230 
      1  -0.242834D+00  0.655772D+00 -0.921310D+00  0.278087D+01 -0.310223D+01
      2  -0.583713D+00 -0.151742D+01  0.425551D+01 -0.528822D+01  0.901867D+01
      3   0.153888D+01 -0.294148D+01  0.234733D+01 -0.934615D+01  0.734438D+01
               231           232           233           234           235 
      1   0.284416D+01 -0.305430D+01  0.461556D+01 -0.503305D+01  0.162997D+01
      2  -0.127631D+02  0.103460D+02 -0.762096D+01  0.255913D+02 -0.168245D+02
      3  -0.119083D+02  0.552210D+01 -0.998631D+01  0.112186D+02  0.269249D+01
               236           237           238           239           240 
      1   0.367327D-01 -0.115990D+01  0.957788D+00  0.366533D+00 -0.523304D+00
      2  -0.878220D+00  0.118908D+02 -0.423546D+00 -0.744044D+00 -0.842122D+00
      3  -0.635506D+01 -0.560389D+00 -0.313204D+01 -0.993254D+00  0.406281D+00
               241           242           243 
      1  -0.127452D+01  0.912611D+00  0.746745D+00
      2   0.108827D+02 -0.297440D-01 -0.945058D+01
      3  -0.297640D+00  0.351093D+01  0.915489D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.980512D+01  0.839793D+01 -0.677938D+01  0.266260D+01  0.352994D+01
      2  -0.316200D+01 -0.183797D+02 -0.861077D+01 -0.115530D+02 -0.152257D+02
      3  -0.664312D+01  0.998173D+01  0.153901D+02  0.889038D+01  0.116958D+02
      4   0.158446D+02 -0.111658D+02  0.246621D+02 -0.702954D+01  0.853836D+01
      5  -0.198795D+02  0.206037D+02 -0.959994D+01  0.205377D+02  0.337140D+01
      6   0.158088D+02 -0.174732D+02  0.892798D+01 -0.116102D+02 -0.724091D+01
                 6             7             8             9            10 
      1   0.229512D+02 -0.624751D+01  0.229566D+02  0.214688D+01 -0.411967D+01
      2  -0.173469D+02 -0.102655D+02 -0.199360D+02  0.403266D+01  0.142782D+02
      3  -0.560433D+01  0.165130D+02 -0.302055D+01 -0.617953D+01 -0.101585D+02
      4  -0.714998D+01  0.250614D+02 -0.936773D+01  0.299232D+01 -0.190759D+02
      5   0.506734D+01 -0.871138D+01  0.933639D+01 -0.720478D+01  0.164987D+02
      6   0.405082D+01  0.755501D+01  0.222362D+01  0.240799D+01 -0.135149D+02
                11            12            13            14            15 
      1  -0.521839D+01  0.787948D+01 -0.105808D+02 -0.103779D+02 -0.255589D+02
      2   0.487411D+01 -0.834044D-01  0.520926D+01  0.153143D+02  0.120192D+02
      3   0.344279D+00 -0.779608D+01  0.537152D+01 -0.493639D+01  0.135397D+02
      4   0.595167D+01 -0.220707D+02  0.910318D+01 -0.267162D+02 -0.105883D+02
      5  -0.193061D+02 -0.767493D+01 -0.227712D+02 -0.197266D+02 -0.959921D+00
      6   0.121371D+02 -0.195888D+01 -0.283304D+01  0.224426D+01 -0.756012D+01
                16            17            18            19            20 
      1   0.583048D+01 -0.235296D+02 -0.787869D+01  0.546843D+02  0.108599D+02
      2   0.957400D+01  0.145870D+02 -0.159319D+01 -0.555693D+02 -0.157078D+02
      3  -0.154045D+02  0.894262D+01  0.947188D+01  0.884955D+00  0.484790D+01
      4  -0.323338D+02 -0.217485D+01  0.626798D+00  0.148483D+01 -0.149968D+02
      5  -0.941125D+01  0.328422D+00  0.448351D+01  0.570046D+01  0.384656D+01
      6  -0.240507D+01 -0.422089D+01 -0.101990D+00  0.103596D+02 -0.273638D+01
                21            22            23            24            25 
      1   0.308901D+01  0.244418D+02  0.635661D+01  0.580143D+01  0.387989D+01
      2  -0.181364D+01 -0.226200D+02 -0.140628D+02  0.191139D+01 -0.850662D+01
      3  -0.127536D+01 -0.182177D+01  0.770619D+01 -0.771282D+01  0.462673D+01
      4   0.515380D+01 -0.392367D+02 -0.375815D+01 -0.214613D+01  0.142628D+02
      5   0.460707D+01  0.365067D+01  0.318659D+01  0.526699D+01  0.667338D+01
      6   0.282899D+01  0.828837D+01  0.619901D+01  0.137946D+01  0.294481D+01
                26            27            28            29            30 
      1   0.108996D+02  0.183277D+02 -0.130401D+03 -0.737132D+01  0.790272D+01
      2  -0.412544D+01  0.688858D+01  0.969012D+02  0.583165D+01 -0.392057D+01
      3  -0.677416D+01 -0.252163D+02  0.335003D+02  0.153967D+01 -0.398216D+01
      4  -0.866126D+01  0.777447D+01  0.472591D+01 -0.108511D+02  0.211074D+01
      5   0.531306D+01  0.720852D+01 -0.718717D+01  0.207381D+01 -0.131571D+02
      6   0.818377D+00 -0.716745D-01 -0.146714D+02 -0.686803D+01  0.213431D+01
                31            32            33            34            35 
      1  -0.323793D+02 -0.240081D+02  0.730525D+01 -0.281198D+02  0.160275D+01
      2   0.268652D+02  0.231219D+02 -0.553348D+01  0.176641D+02 -0.252208D+01
      3   0.551409D+01  0.886139D+00 -0.177178D+01  0.104557D+02  0.919332D+00
      4  -0.388558D+01 -0.724121D+01  0.162317D+01 -0.195960D+01  0.526093D+00
      5  -0.598900D+00 -0.316441D+00 -0.261942D+01 -0.982541D-01  0.160777D+01
      6  -0.451869D+01 -0.729236D+01  0.504649D+01 -0.109863D+01 -0.688558D-01
                36            37            38            39            40 
      1  -0.347608D+01  0.148501D+03  0.109929D+02 -0.931798D+01  0.319369D+02
      2  -0.324442D+01 -0.107865D+03 -0.686168D+01  0.649998D+01 -0.166535D+02
      3   0.672050D+01 -0.406363D+02 -0.413123D+01  0.281800D+01 -0.152833D+02
      4   0.175868D+01 -0.326837D+01  0.176001D+02 -0.867340D+00  0.311503D+02
      5   0.249544D+01 -0.556452D+01 -0.220609D+01  0.222776D+02 -0.318244D+01
      6  -0.489086D+01  0.168523D+02  0.672534D+01 -0.329147D+01  0.114473D+02
                41            42            43            44            45 
      1   0.645285D+00  0.298604D+01  0.361514D+02  0.104486D+02  0.133298D+02
      2   0.462526D+01  0.285710D+01 -0.220240D+02 -0.422003D+01 -0.675146D+00
      3  -0.527054D+01 -0.584314D+01 -0.141274D+02 -0.622858D+01 -0.126547D+02
      4   0.656029D+01  0.363900D+01 -0.716327D+00  0.422740D+01 -0.691780D+01
      5   0.402730D+01 -0.434590D+01  0.277540D+02 -0.484189D+01 -0.863643D+01
      6   0.112717D+01  0.472713D+01 -0.241319D+01  0.418303D+01 -0.597836D+01
                46            47            48            49            50 
      1  -0.585328D+02 -0.662618D+01 -0.168075D+02 -0.520048D+00 -0.326182D+01
      2   0.435840D+02 -0.175315D+01  0.576426D+01 -0.523396D+01  0.655504D+01
      3   0.149488D+02  0.837933D+01  0.110432D+02  0.575401D+01 -0.329323D+01
      4  -0.992028D+01 -0.189579D+02 -0.714168D+01  0.320473D+01  0.168575D+01
      5  -0.916965D+01 -0.433970D+01 -0.207613D+02 -0.268513D+02  0.525388D+01
      6  -0.124362D+02 -0.299326D+01 -0.127290D+01  0.238377D+01 -0.427067D+01
                51            52            53            54            55 
      1  -0.113528D+02  0.399042D+02 -0.706409D+01 -0.196367D+02  0.270168D+02
      2   0.117613D+02 -0.432607D+02  0.402404D+00  0.229477D+02 -0.160054D+02
      3  -0.408508D+00  0.335648D+01  0.666168D+01 -0.331095D+01 -0.110114D+02
      4   0.664270D+01 -0.278013D+02  0.570351D+01  0.921884D+01 -0.647472D+01
      5   0.635670D+01 -0.641284D+02  0.399636D+01  0.454817D+02 -0.176213D+02
      6   0.419365D+01  0.131118D+02 -0.658315D+01 -0.729544D+01  0.199537D+01
                56            57            58            59            60 
      1  -0.281471D+01 -0.886501D+01 -0.233955D+02 -0.309271D+00  0.441917D+01
      2   0.295594D+01  0.637375D+01  0.152881D+02  0.655272D+00 -0.417449D+01
      3  -0.141231D+00  0.249126D+01  0.810742D+01 -0.346001D+00 -0.244678D+00
      4   0.131640D+02  0.557798D+01  0.225105D+02 -0.139798D+02 -0.210109D+02
      5   0.470792D+01  0.221365D+02  0.192939D+02 -0.205485D+02 -0.105907D+02
      6  -0.119521D+01 -0.126276D+01 -0.110587D+02  0.802736D+01  0.134564D+02
                61            62            63            64            65 
      1  -0.733980D+02 -0.230592D+01  0.486812D+01 -0.347529D+02  0.213327D+02
      2   0.588092D+02  0.205904D+01 -0.339137D+02  0.770338D+01 -0.449150D+01
      3   0.145888D+02  0.246875D+00  0.290456D+02  0.270495D+02 -0.168412D+02
      4   0.148601D+02 -0.157646D+02 -0.138113D+02  0.252447D+02 -0.672646D+01
      5   0.722301D+02 -0.781802D+01 -0.768884D+02 -0.163363D+02  0.244765D+02
      6  -0.119879D+02  0.150655D+02  0.921729D+01  0.890127D+01 -0.111125D+02
                66            67            68            69            70 
      1  -0.118141D+02  0.149904D+02  0.443353D+01  0.365272D+02 -0.238634D+02
      2  -0.116212D+01  0.222580D+01 -0.495656D+00 -0.265888D+02  0.130750D+01
      3   0.129763D+02 -0.172163D+02 -0.393787D+01 -0.993841D+01  0.225559D+02
      4   0.295930D+02 -0.134308D+02  0.883111D+01  0.133323D+02  0.367952D+02
      5   0.772388D+01  0.249591D+02  0.189999D+02 -0.137683D+02  0.476438D+01
      6  -0.895446D+01 -0.635182D+01 -0.119710D+02 -0.893735D+01 -0.732283D+01
                71            72            73            74            75 
      1   0.373698D+02  0.294706D+01 -0.558980D+02 -0.174465D+02 -0.142751D+02
      2  -0.267332D+02  0.133452D+01  0.243766D+02  0.981509D+01 -0.333979D+01
      3  -0.106367D+02 -0.428158D+01  0.315214D+02  0.763145D+01  0.176149D+02
      4   0.845697D+01 -0.578140D+01 -0.235638D+02  0.268316D+01 -0.363965D+01
      5  -0.983639D+01  0.772472D+01 -0.186731D+02 -0.419198D+01  0.103073D+02
      6  -0.941841D+01 -0.890337D+00 -0.370890D+01 -0.473256D+01  0.599356D+01
                76            77            78            79            80 
      1  -0.146421D+02  0.123979D+02 -0.316913D+01 -0.215842D+01 -0.271647D+01
      2   0.113455D+02 -0.730904D+01  0.109805D+02 -0.627698D+01  0.832516D+01
      3   0.329665D+01 -0.508891D+01 -0.781133D+01  0.843540D+01 -0.560869D+01
      4   0.111526D+02  0.274848D+02  0.158535D+02  0.179426D+00  0.740843D+01
      5  -0.606979D+01  0.236458D+02 -0.438924D+01  0.129680D+02 -0.699793D+01
      6   0.542301D+01  0.949210D+01  0.116840D+01  0.494642D+01 -0.688212D+00
                81            82            83            84            85 
      1   0.228091D+02 -0.143428D+02 -0.117062D+02 -0.945858D+01 -0.124241D+02
      2  -0.184792D+01  0.213842D+02  0.279492D+02  0.152874D+02  0.246300D+02
      3  -0.209612D+02 -0.704146D+01 -0.162430D+02 -0.582883D+01 -0.122059D+02
      4  -0.352827D+01  0.100650D+02  0.102201D+02  0.117855D+02  0.238736D+02
      5  -0.122847D+02  0.242947D+01  0.125406D+02 -0.166843D+02  0.138018D+02
      6  -0.871800D+01  0.185380D+01  0.142122D+02 -0.137402D+02  0.611891D+01
                86            87            88            89            90 
      1   0.126928D+02  0.106695D+02 -0.329952D+02  0.106223D+02 -0.952897D+01
      2  -0.136548D+02 -0.910624D+01  0.353433D+02 -0.846532D+01  0.564523D+01
      3   0.961955D+00 -0.156323D+01 -0.234806D+01 -0.215698D+01  0.388373D+01
      4   0.894584D+01  0.673486D+01  0.241232D+02  0.140200D+02 -0.107933D+02
      5  -0.424835D+00  0.132101D+00 -0.225783D+02 -0.609471D+01  0.510383D+01
      6  -0.631907D+01 -0.303539D+01 -0.184293D+02 -0.626762D+01  0.791863D+01
                91            92            93            94            95 
      1  -0.142018D+02  0.920134D+01  0.443150D+02  0.210538D+02  0.117721D+02
      2   0.555516D+01 -0.253205D+01 -0.211931D+02 -0.176293D+02 -0.104814D+02
      3   0.864668D+01 -0.666929D+01 -0.231219D+02 -0.342447D+01 -0.129064D+01
      4   0.160370D+02  0.148447D+02  0.130241D+02 -0.696204D+01 -0.308456D+02
      5   0.512974D+02  0.121375D+02 -0.270804D+00  0.148497D+02 -0.283995D+02
      6   0.725001D+01  0.493896D+01  0.290097D+01 -0.428208D+01 -0.105630D+02
                96            97            98            99           100 
      1   0.117369D+02  0.610735D+02  0.107140D+02 -0.213308D+02  0.897804D+02
      2  -0.175171D+02 -0.286562D+02 -0.131825D+02  0.159203D+02 -0.447752D+02
      3   0.578016D+01 -0.324173D+02  0.246850D+01  0.541049D+01 -0.450052D+02
      4  -0.305022D+02  0.139678D+02 -0.234035D+02  0.116402D+02  0.351605D+02
      5   0.190064D+02 -0.262982D+02  0.119362D+02 -0.303869D+02  0.283527D+02
      6  -0.969192D+01  0.402624D+01 -0.553875D+01  0.628847D+01  0.768783D+01
               101           102           103           104           105 
      1   0.154171D+02  0.148508D+02  0.601346D+01  0.698840D+01  0.106363D+01
      2  -0.475905D+01 -0.922505D+01 -0.919741D-01  0.926485D+00 -0.114568D+01
      3  -0.106580D+02 -0.562578D+01 -0.592149D+01 -0.791488D+01  0.820503D-01
      4   0.192820D+02  0.788250D+01  0.162004D+02  0.691700D+01  0.250902D+01
      5   0.666336D+01  0.155260D+02  0.323606D+01  0.188044D+01  0.175242D+01
      6   0.455035D+01  0.422046D+01  0.311947D+01  0.539306D+00  0.234804D+01
               106           107           108           109           110 
      1   0.204794D+01  0.910598D+00  0.536937D+01  0.182338D+01  0.474159D+01
      2  -0.270315D+01 -0.231532D+01 -0.557988D+01 -0.330538D+01 -0.283742D+01
      3   0.655206D+00  0.140472D+01  0.210515D+00  0.148200D+01 -0.190417D+01
      4   0.202639D+01 -0.773004D+00  0.483858D+01  0.223046D+01 -0.207984D+01
      5   0.121125D+02  0.387700D+01  0.720479D+01  0.352958D+01  0.116857D+00
      6   0.325399D+01  0.193841D+01  0.316394D+01  0.302582D+01 -0.269780D+01
               111           112           113           114           115 
      1   0.106506D+02  0.179351D+01 -0.662961D+01 -0.331861D+01  0.734553D+01
      2   0.421510D+00 -0.123459D+01  0.234425D+01  0.124301D+01 -0.450704D+01
      3  -0.110721D+02 -0.558915D+00  0.428536D+01  0.207560D+01 -0.283849D+01
      4   0.115638D+01  0.179569D+01  0.995056D+00  0.275473D+01  0.342143D+01
      5  -0.402850D+01  0.142537D+01  0.156926D+01  0.363545D+01  0.609522D+01
      6  -0.491099D+01 -0.762979D+00  0.430985D+01  0.984041D+01  0.129502D+01
               116           117           118           119           120 
      1  -0.605774D+01 -0.243149D+02  0.233693D+00  0.305236D+00 -0.218430D+01
      2   0.511806D+00 -0.126633D+02 -0.426552D+01 -0.410714D+00 -0.818514D+00
      3   0.554593D+01  0.369782D+02  0.403182D+01  0.105478D+00  0.300281D+01
      4   0.742755D+01  0.736987D+01 -0.901144D+00  0.286627D+01  0.172567D+00
      5   0.832251D+01  0.339789D+02  0.399810D+00  0.113112D+01  0.732326D+01
      6   0.968953D+01  0.201165D+02  0.668075D+00  0.390650D+00 -0.339499D+00
               121           122           123           124           125 
      1   0.136682D+01 -0.695906D+01 -0.423654D+01 -0.180457D+01 -0.133604D+01
      2  -0.978019D+00  0.266627D+01 -0.208450D+01  0.106649D+01 -0.235476D+01
      3  -0.388796D+00  0.429279D+01  0.632105D+01  0.738073D+00  0.369081D+01
      4   0.135379D+01 -0.216205D+01 -0.152221D+01 -0.405663D+00 -0.225010D+01
      5   0.120712D+01 -0.196500D+01 -0.279470D+01  0.559446D+01 -0.183070D+01
      6   0.399178D+00  0.892372D+00  0.661172D+01 -0.733024D+00  0.534948D+01
               126           127           128           129           130 
      1  -0.263526D+02 -0.656381D+01  0.201879D+02  0.253870D+01  0.107842D+02
      2  -0.134786D+02  0.861769D+01 -0.282522D+02 -0.349505D+01 -0.136841D+02
      3   0.398313D+02 -0.205388D+01  0.806431D+01  0.956355D+00  0.289988D+01
      4  -0.366855D+01 -0.385383D+01  0.169914D+01 -0.555133D+00  0.589187D+01
      5  -0.121521D+02  0.562880D+00 -0.112963D+01  0.144871D+01 -0.112675D+01
      6  -0.102130D+01  0.138312D+01 -0.294376D+01 -0.230291D+01 -0.110097D+01
               131           132           133           134           135 
      1  -0.369793D+02 -0.358926D+01  0.554938D+01 -0.102552D+02 -0.545183D+01
      2   0.567609D+02  0.511024D+01 -0.531400D+01  0.141446D+02  0.633135D+01
      3  -0.197817D+02 -0.152098D+01 -0.235382D+00 -0.388938D+01 -0.879516D+00
      4   0.101174D+02 -0.174859D-01  0.411735D+00  0.289500D+01  0.264337D+01
      5   0.982104D+00  0.233305D+01  0.353470D+01  0.312127D+01  0.931195D+00
      6   0.482294D+01  0.787040D+01  0.795056D+00  0.104258D+02  0.352710D+01
               136           137           138           139           140 
      1   0.116629D+02  0.149410D+01 -0.243258D+01  0.356130D+01 -0.640198D+01
      2  -0.374944D+01  0.310445D+01 -0.952387D+00  0.176351D+00  0.122441D+02
      3  -0.791344D+01 -0.459855D+01  0.338497D+01 -0.373765D+01 -0.584211D+01
      4   0.183994D+02  0.159379D+02 -0.121402D+02  0.121306D+02  0.141543D+02
      5  -0.162363D+02 -0.103367D+02  0.169140D+02 -0.675630D+01 -0.985455D+01
      6  -0.103248D+02 -0.946308D+01  0.114424D+02 -0.768048D+01 -0.111911D+02
               141           142           143           144           145 
      1   0.264330D+01  0.201488D+01  0.715482D+01 -0.623699D+01 -0.706836D+01
      2  -0.471827D+01 -0.464517D+01 -0.925982D+01  0.573724D+00 -0.334428D+01
      3   0.207496D+01  0.263029D+01  0.210500D+01  0.566326D+01  0.104126D+02
      4  -0.103605D+02 -0.197716D+02 -0.177319D+02  0.167005D+02  0.648006D+01
      5   0.838145D+01  0.201105D+02  0.147588D+02 -0.237480D+02 -0.209355D+01
      6   0.106005D+02  0.161536D+02  0.178733D+02 -0.229635D+02 -0.376245D+01
               146           147           148           149           150 
      1  -0.381579D+01  0.112823D+02  0.109284D+01 -0.221763D+01 -0.599773D+01
      2   0.624939D+01  0.373241D+01  0.317648D+01  0.143707D+00 -0.125633D+01
      3  -0.243360D+01 -0.150147D+02 -0.426931D+01  0.207393D+01  0.725406D+01
      4  -0.546731D+00 -0.640061D+01 -0.175875D+01  0.248270D+01  0.178269D+01
      5  -0.130963D+01  0.154718D+01 -0.115473D+01 -0.466733D+00  0.284483D+01
      6  -0.185679D+01  0.587391D+01 -0.123498D+01  0.230151D+01  0.939283D+00
               151           152           153           154           155 
      1   0.886806D+01 -0.967857D+00 -0.170947D+02  0.160904D+02 -0.229700D+01
      2   0.388884D+01 -0.198830D+01 -0.794807D+01 -0.777902D+01 -0.289935D+01
      3  -0.127569D+02  0.295615D+01  0.250428D+02 -0.831141D+01  0.519635D+01
      4  -0.812318D+01  0.282132D+01  0.481998D+01 -0.294761D+02  0.237257D+02
      5   0.376006D+01 -0.151428D+01  0.386613D+01  0.262553D+02 -0.157074D+02
      6   0.288280D+01  0.426788D+01 -0.944145D+01 -0.146708D+02  0.143551D+02
               156           157           158           159           160 
      1   0.271340D+01 -0.176553D+01 -0.364773D+01  0.149615D+01  0.411255D+01
      2  -0.395295D+01 -0.178624D+01  0.984258D+01 -0.198563D+01 -0.456456D+01
      3   0.123955D+01  0.355177D+01 -0.619485D+01  0.489486D+00  0.452012D+00
      4  -0.179593D+02  0.165089D+02 -0.176137D+02  0.111899D+02 -0.146803D+02
      5   0.217543D+02 -0.985862D+01  0.989680D+01 -0.851222D+01  0.178402D+02
      6  -0.142077D+02  0.980254D+01 -0.117939D+02  0.103781D+02 -0.110279D+02
               161           162           163           164           165 
      1   0.158823D+01 -0.257449D+01 -0.662407D+01 -0.122199D+02 -0.392194D-01
      2  -0.408364D+00 -0.473830D+01  0.865286D+01  0.180904D+02  0.363123D+01
      3  -0.117986D+01  0.731280D+01 -0.202880D+01 -0.587050D+01 -0.359201D+01
      4   0.114329D+02 -0.135860D+02  0.205727D+01  0.366870D+01 -0.105887D+01
      5  -0.119519D+02  0.193125D+02 -0.727311D+00 -0.432148D+01  0.201599D+00
      6   0.119500D+02 -0.152423D+02 -0.723019D+00 -0.103351D+00  0.258929D+01
               166           167           168           169           170 
      1  -0.698087D+01 -0.254201D+02 -0.317839D+01 -0.295402D+01 -0.117549D+02
      2   0.106931D+02  0.419823D+02  0.768839D+01  0.477538D+01  0.181214D+02
      3  -0.371222D+01 -0.165622D+02 -0.451000D+01 -0.182136D+01 -0.636649D+01
      4   0.502491D+01 -0.876984D+01  0.629686D+00  0.354510D+00 -0.436282D+01
      5  -0.431663D+01 -0.496809D+01 -0.404253D+01  0.139537D+00 -0.402627D+01
      6   0.794413D+00 -0.226466D+01  0.640645D+01  0.101168D+01  0.527996D+01
               171           172           173           174           175 
      1  -0.482971D+01  0.179671D+02  0.455087D+01 -0.861549D+01  0.140043D+02
      2   0.604642D+01 -0.123972D+02 -0.547026D+01  0.982762D+01 -0.124340D+02
      3  -0.121671D+01 -0.556987D+01  0.919392D+00 -0.121212D+01 -0.157029D+01
      4  -0.110055D+01  0.250009D+01  0.712067D+01 -0.654247D+01  0.784822D+01
      5  -0.276819D+01 -0.137288D+02 -0.904071D+01  0.139367D+02 -0.168153D+02
      6   0.520504D+01 -0.185266D+01 -0.717217D+00  0.122560D+01 -0.106626D+01
               176           177           178           179           180 
      1   0.444146D+01 -0.972680D+01 -0.929442D+01 -0.661041D+01  0.572915D+01
      2  -0.649536D+01  0.140201D+02  0.127375D+02  0.106176D+02 -0.177271D+02
      3   0.205390D+01 -0.429326D+01 -0.344311D+01 -0.400714D+01  0.119979D+02
      4   0.158548D+02 -0.106592D+02 -0.665320D+01 -0.108097D+02  0.849185D+01
      5  -0.129812D+02  0.201545D+02  0.198208D+02  0.120542D+02 -0.300829D+02
      6  -0.502034D+01  0.408292D+01  0.856175D+00  0.592839D+01 -0.101753D+01
               181           182           183           184           185 
      1  -0.286308D+01 -0.134431D+02 -0.788429D+01 -0.952718D+01 -0.214489D+02
      2   0.284221D+01  0.969606D+01  0.331460D+01  0.393302D+01  0.218720D+02
      3   0.208636D-01  0.374705D+01  0.456969D+01  0.559415D+01 -0.423077D+00
      4  -0.148414D+01 -0.403854D+01 -0.507801D+01  0.726720D+01 -0.251571D+02
      5   0.184196D+01 -0.411977D+01 -0.419983D+01  0.236064D+01 -0.143212D+02
      6   0.211853D+01  0.803346D+01  0.706950D+01 -0.375747D+00  0.214985D+02
               186           187           188           189           190 
      1  -0.156988D+02 -0.351545D+01 -0.160969D+02 -0.139585D+02  0.746271D+02
      2   0.961565D+01  0.260200D+01  0.925387D+01  0.262683D+01 -0.291689D+02
      3   0.608314D+01  0.913451D+00  0.684304D+01  0.113316D+02 -0.454582D+02
      4  -0.144465D+02 -0.908662D-01 -0.135323D+02 -0.103706D+02 -0.419147D+02
      5  -0.115657D+02  0.454949D+01 -0.102856D+02 -0.156544D+02  0.185145D+01
      6   0.169780D+02  0.474546D+00  0.163025D+02  0.160756D+02 -0.124525D+01
               191           192           193           194           195 
      1  -0.218197D+02  0.102852D+02 -0.209635D+02  0.108209D+02 -0.540864D+01
      2   0.391181D+01 -0.179208D+01  0.245858D+01  0.123877D+01  0.132540D+01
      3   0.179079D+02 -0.849314D+01  0.185049D+02 -0.120597D+02  0.408324D+01
      4   0.231768D+02 -0.712223D+01  0.268170D+02 -0.200165D+02  0.259051D+01
      5  -0.245559D+01  0.110773D+02 -0.181725D+01 -0.324817D+00 -0.338234D+01
      6   0.277532D+00 -0.301599D+01 -0.141496D+00  0.113166D+01  0.404456D+01
               196           197           198           199           200 
      1   0.297572D+02 -0.105718D+02  0.916048D+01 -0.248661D+00 -0.107716D+01
      2  -0.928687D+01  0.205268D+01 -0.381167D+01  0.146332D+01  0.723749D+00
      3  -0.204704D+02  0.851915D+01 -0.534881D+01 -0.121466D+01  0.353414D+00
      4  -0.208411D+02  0.116498D+02 -0.651753D+01  0.165127D+00  0.130984D+01
      5   0.104605D+02 -0.395697D+01  0.888814D+01 -0.102491D+01  0.436658D+00
      6  -0.338877D+01  0.342325D+01 -0.360259D+01  0.106668D+01  0.575301D-01
               201           202           203           204           205 
      1  -0.142910D+01 -0.267861D+01 -0.974255D+00 -0.451396D+01 -0.650514D+01
      2   0.107229D+01 -0.170459D+01  0.459510D+00  0.250829D+01  0.312997D+01
      3   0.356812D+00  0.438320D+01  0.514745D+00  0.200567D+01  0.337516D+01
      4   0.822766D+00  0.204864D+00 -0.136642D+01 -0.205649D+01  0.787621D+00
      5   0.136798D+01  0.320407D+00 -0.130479D+01 -0.554965D+00  0.609867D+00
      6   0.158133D+00 -0.979165D+00  0.328444D+01  0.317154D+01  0.113795D+01
               206           207           208           209           210 
      1  -0.588585D+01 -0.127408D+02  0.275252D+01  0.224476D+01  0.580419D+01
      2   0.395453D+01  0.228730D+01 -0.355862D+01 -0.121747D+01 -0.218568D+01
      3   0.193131D+01  0.104535D+02  0.806103D+00 -0.102729D+01 -0.361851D+01
      4  -0.125963D+01 -0.251595D+01  0.276976D+01  0.145752D+01  0.165903D+01
      5  -0.163885D+01 -0.450301D+01  0.547940D+01  0.181563D+01  0.492470D+01
      6   0.480062D+01  0.712160D+01  0.169375D+01 -0.159530D+00  0.553644D+00
               211           212           213           214           215 
      1   0.204100D+01 -0.370707D+01 -0.395127D+01  0.111243D+01 -0.475321D+01
      2  -0.398915D+01  0.214183D+00 -0.171529D+01 -0.330137D+01 -0.393815D+00
      3   0.194815D+01  0.349289D+01  0.566656D+01  0.218895D+01  0.514702D+01
      4  -0.246806D+01  0.119096D+01  0.220738D+01  0.299058D+01  0.311144D+01
      5   0.454568D+01  0.304830D+01  0.641116D+01  0.735799D+01  0.528150D+01
      6  -0.151000D+01  0.255286D+01  0.409917D+01  0.227709D+01  0.594478D+01
               216           217           218           219           220 
      1  -0.203179D+02  0.487514D+01  0.822848D+01 -0.616233D-01  0.222583D+02
      2  -0.811720D+01 -0.147066D+01 -0.572192D+01 -0.195103D+00 -0.613283D+01
      3   0.284351D+02 -0.340448D+01 -0.250656D+01  0.256726D+00 -0.161255D+02
      4   0.403109D+01  0.300305D+01 -0.367641D+00 -0.166392D+01  0.239068D+02
      5   0.213638D+02 -0.227476D+01 -0.975639D+00  0.151346D+00  0.102441D+02
      6   0.610913D+01  0.197740D+01 -0.141523D+01 -0.166426D+01  0.573442D+01
               221           222           223           224           225 
      1  -0.825460D+01 -0.295782D+01  0.816535D+01 -0.370907D+01  0.192409D+01
      2   0.214703D+02  0.487995D+01 -0.467091D+01  0.303544D+01 -0.203366D+01
      3  -0.132157D+02 -0.192213D+01 -0.349444D+01  0.673627D+00  0.109573D+00
      4   0.611873D+02  0.229654D+02  0.458874D+01  0.176708D+02  0.120477D+02
      5   0.214940D+02  0.157415D+02  0.150320D+02  0.122922D+02  0.188170D+02
      6   0.181226D+02  0.120360D+02  0.253087D+01  0.104099D+02  0.684359D+01
               226           227           228           229           230 
      1   0.183118D+02 -0.627265D+01  0.677768D+01 -0.206159D+02  0.256978D+01
      2  -0.125180D+02  0.403494D+01 -0.539076D+01  0.137656D+02 -0.225120D+01
      3  -0.579381D+01  0.223771D+01 -0.138692D+01  0.685031D+01 -0.318585D+00
      4  -0.698758D+01  0.442417D+01 -0.548992D+01  0.148959D+02 -0.146499D+02
      5   0.900056D+01 -0.619422D+01  0.117947D+02 -0.184954D+02  0.196718D+02
      6  -0.280534D+01  0.575923D+00 -0.819255D+00  0.528344D+01 -0.608118D+01
               231           232           233           234           235 
      1  -0.652299D+01  0.252452D+02  0.128355D+00  0.110876D+02  0.983471D+02
      2   0.105477D+02 -0.196796D+02  0.540240D+01 -0.230472D+02 -0.468559D+02
      3  -0.402473D+01 -0.556560D+01 -0.553075D+01  0.119596D+02 -0.514912D+02
      4   0.209103D+02 -0.506110D+01  0.198226D+02 -0.170187D+02  0.666667D+01
      5  -0.272867D+02  0.362767D+02 -0.156395D+02  0.571455D+02 -0.196530D+02
      6   0.932075D+01 -0.318727D+01  0.724344D+01 -0.708064D+01 -0.292660D+01
               236           237           238           239           240 
      1   0.205882D+01 -0.240855D+02 -0.547030D+01  0.915255D+01 -0.535624D+00
      2   0.114912D+00  0.101862D+02  0.384337D+01 -0.286921D+01  0.939520D+00
      3  -0.217373D+01  0.138993D+02  0.162693D+01 -0.628334D+01 -0.403896D+00
      4   0.127923D+02 -0.269412D+01  0.145765D+02  0.324451D+01 -0.187561D+01
      5  -0.173925D+01  0.173594D+02 -0.617736D+00 -0.142546D+01 -0.227126D+01
      6   0.213665D+00  0.182250D+01 -0.258698D+00  0.638499D+00  0.247753D+01
               241           242           243 
      1  -0.522217D+02 -0.289793D+01  0.206891D+02
      2   0.247446D+02  0.131947D+01 -0.115505D+02
      3   0.274771D+02  0.157846D+01 -0.913863D+01
      4  -0.539300D+01 -0.708241D+01  0.655633D+00
      5   0.241875D+02  0.121210D+00 -0.166665D+02
      6   0.265459D+01  0.186216D+01 -0.250262D+01
 Leave Link  716 at Thu Aug 12 20:29:40 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.180646D+03  0.591379D+01  0.302956D+01
      2   0.591379D+01  0.112194D+03  0.317624D+01
      3   0.302956D+01  0.317624D+01  0.116003D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.750149D+01 -0.885335D+01  0.557320D+01
      2   0.355187D+02 -0.966409D+01  0.396631D+01
      3   0.275229D+02 -0.426314D+02  0.153473D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.916202D+02 -0.298853D+02 -0.237324D+01
      2   0.774721D+02  0.656041D+01  0.968658D+01
      3   0.141481D+02  0.233249D+02 -0.731333D+01
      4  -0.425871D+02  0.999756D+02 -0.278034D+02
      5  -0.365231D+02 -0.305497D+02  0.564430D+01
      6  -0.135257D+02 -0.200227D+02 -0.129693D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.389399D+01  0.240858D+01 -0.420150D+01  0.140480D+01  0.367372D+00
      2   0.240858D+01  0.131641D+00  0.411144D+01  0.367372D+00  0.327322D+01
      3  -0.420150D+01  0.411144D+01  0.135464D+00  0.410163D+01  0.175716D+01
                 6             7             8             9            10 
      1   0.410163D+01 -0.425851D+01  0.408017D+01  0.278893D+00  0.272805D+02
      2   0.175716D+01  0.408017D+01  0.253373D+01  0.189556D-01 -0.409565D+01
      3  -0.100279D+01  0.278893D+00  0.189556D-01 -0.208461D+01  0.427818D+01
                11            12            13            14            15 
      1  -0.409565D+01  0.427818D+01 -0.104698D+02  0.275698D+01 -0.484781D+01
      2   0.854428D+00 -0.383140D+01  0.275698D+01 -0.462301D+01 -0.342111D+01
      3  -0.383140D+01 -0.802402D+00 -0.484781D+01 -0.342111D+01 -0.449602D+00
                16            17            18            19            20 
      1   0.203843D+02 -0.527195D+01  0.135964D+00 -0.519658D+02 -0.834829D+00
      2  -0.527195D+01 -0.291215D+01  0.416971D-01 -0.834829D+00 -0.514472D+01
      3   0.135964D+00  0.416971D-01  0.911163D+00 -0.159187D+01  0.121534D+01
                21            22            23            24            25 
      1  -0.159187D+01  0.685331D+01 -0.104634D+02  0.248281D+01 -0.867925D+01
      2   0.121534D+01 -0.104634D+02 -0.123759D+01 -0.737173D+00  0.214728D+01
      3  -0.404805D-01  0.248281D+01 -0.737173D+00  0.251610D+01  0.605090D+00
                26            27            28            29            30 
      1   0.214728D+01  0.605090D+00  0.686726D+02  0.399181D+01 -0.199083D+00
      2  -0.182594D+01  0.243103D+01  0.399181D+01  0.360756D+01 -0.683480D+00
      3   0.243103D+01  0.488160D+01 -0.199083D+00 -0.683480D+00  0.155252D+01
                31            32            33            34            35 
      1   0.122539D+02  0.696925D+01 -0.195179D+01  0.874765D+01 -0.619610D+00
      2   0.696925D+01  0.309377D+01 -0.359423D+00 -0.619610D+00  0.133419D+01
      3  -0.195179D+01 -0.359423D+00 -0.118419D+01  0.177838D+01 -0.166566D+01
                36            37            38            39            40 
      1   0.177838D+01 -0.593814D+02 -0.337135D+01  0.316112D+01 -0.132698D+02
      2  -0.166566D+01 -0.337135D+01 -0.201558D+01  0.880525D+00 -0.466415D+01
      3  -0.326975D+01  0.316112D+01  0.880525D+00 -0.124824D+01  0.137283D+01
                41            42            43            44            45 
      1  -0.466415D+01  0.137283D+01 -0.127264D+02 -0.814932D+00 -0.403933D+01
      2  -0.233113D+01 -0.757864D+00 -0.814932D+00 -0.218342D+01  0.182463D+01
      3  -0.757864D+00  0.190150D+01 -0.403933D+01  0.182463D+01  0.273583D+01
                46            47            48            49            50 
      1   0.176404D+02  0.127918D+01 -0.206332D+01 -0.560463D+01 -0.101346D+01
      2   0.127918D+01 -0.113095D+01  0.395131D+00 -0.101346D+01 -0.599708D+00
      3  -0.206332D+01  0.395131D+00 -0.405996D+00  0.350838D+01 -0.719698D+00
                51            52            53            54            55 
      1   0.350838D+01 -0.279780D+02  0.123028D+01  0.975263D+01 -0.460775D+01
      2  -0.719698D+00  0.123028D+01  0.623941D+00 -0.855524D+00  0.567205D+00
      3  -0.156422D+01  0.975263D+01 -0.855524D+00 -0.615289D+01  0.232189D+01
                56            57            58            59            60 
      1   0.567205D+00  0.232189D+01  0.896837D+01 -0.186162D+01 -0.317543D+01
      2  -0.206194D+00 -0.585759D+00 -0.186162D+01  0.174848D+01  0.298989D+01
      3  -0.585759D+00 -0.114654D+01 -0.317543D+01  0.298989D+01  0.152691D+01
                61            62            63            64            65 
      1   0.289680D+02 -0.435547D+00 -0.111142D+02 -0.960452D+01  0.262367D+01
      2  -0.435547D+00  0.111922D+01  0.114070D+01  0.262367D+01  0.272421D-01
      3  -0.111142D+02  0.114070D+01  0.111964D+02 -0.272374D+01  0.425013D+01
                66            67            68            69            70 
      1  -0.272374D+01  0.339319D+01 -0.142934D+01  0.412599D+01 -0.907756D+01
      2   0.425013D+01 -0.142934D+01  0.215907D+01  0.392616D+01  0.448470D+01
      3   0.129158D+01  0.412599D+01  0.392616D+01 -0.101252D+01 -0.747480D-01
                71            72            73            74            75 
      1   0.448470D+01 -0.747480D-01 -0.713454D+01 -0.184781D+01 -0.186011D+01
      2   0.331340D+01 -0.170261D+00 -0.184781D+01  0.237279D+01 -0.538136D+00
      3  -0.170261D+00  0.160109D+01 -0.186011D+01 -0.538136D+00  0.282996D+01
                76            77            78            79            80 
      1  -0.186379D+01  0.275404D+01 -0.743282D+00  0.649016D+00 -0.210034D+00
      2   0.275404D+01  0.556801D+01  0.351552D+01 -0.210034D+00  0.339474D+01
      3  -0.743282D+00  0.351552D+01 -0.726778D+00  0.231993D+01 -0.201390D+01
                81            82            83            84            85 
      1   0.231993D+01  0.870604D+01  0.306936D+01  0.684351D+00  0.660147D+01
      2  -0.201390D+01  0.306936D+01  0.445078D+01  0.328420D+01  0.659415D+01
      3  -0.365279D+01  0.684351D+00  0.328420D+01 -0.302420D+01  0.244949D+01
                86            87            88            89            90 
      1   0.659415D+01  0.244949D+01  0.980852D+01  0.626417D+01 -0.384099D+01
      2  -0.231425D+01  0.487536D-01  0.626417D+01  0.204600D-01 -0.425397D+00
      3   0.487536D-01  0.263254D+00 -0.384099D+01 -0.425397D+00  0.689336D+00
                91            92            93            94            95 
      1   0.120703D+01 -0.166732D+01 -0.524787D+01 -0.276332D+01  0.641165D+00
      2  -0.166732D+01 -0.111715D+01 -0.125827D+01  0.641165D+00  0.415735D+01
      3  -0.524787D+01 -0.125827D+01  0.101461D+01 -0.116060D+01  0.373388D+01
                96            97            98            99           100 
      1  -0.116060D+01 -0.816893D+01 -0.111673D+01  0.384998D+01  0.118933D+02
      2   0.373388D+01 -0.111673D+01  0.312596D+01 -0.101219D+01  0.249643D+01
      3  -0.159038D+01  0.384998D+01 -0.101219D+01  0.415683D+01  0.259857D+01
               101           102           103           104           105 
      1   0.249643D+01  0.259857D+01  0.918913D+00  0.151287D+01  0.262055D+00
      2   0.181939D+01  0.632629D+00  0.151287D+01  0.552203D+00  0.191649D+00
      3   0.632629D+00  0.146776D+01  0.262055D+00  0.191649D+00  0.201298D+00
               106           107           108           109           110 
      1   0.256543D+00  0.168135D+00  0.114493D+01 -0.821603D-01  0.440262D+00
      2   0.168135D+00 -0.249039D+00  0.523739D+00  0.440262D+00 -0.896490D+00
      3   0.114493D+01  0.523739D+00  0.107015D+01  0.959991D+00 -0.311683D+00
               111           112           113           114           115 
      1   0.959991D+00  0.884107D-01 -0.521781D-01  0.100682D+00  0.902697D+00
      2  -0.311683D+00 -0.521781D-01  0.451108D+00  0.719106D+00  0.108272D+00
      3  -0.207761D+01  0.100682D+00  0.719106D+00  0.909001D+00  0.133106D+00
               116           117           118           119           120 
      1   0.108272D+00  0.133106D+00  0.231964D-01 -0.360998D+00 -0.736779D+00
      2   0.169731D+01  0.179975D+01 -0.360998D+00  0.314951D+00 -0.103615D+00
      3   0.179975D+01  0.815145D+01 -0.736779D+00 -0.103615D+00 -0.236267D+00
               121           122           123           124           125 
      1  -0.210599D+01  0.365337D+00 -0.405673D-01 -0.115561D+01 -0.239672D-02
      2   0.365337D+00 -0.508894D+00 -0.108037D+01 -0.239672D-02 -0.109593D+01
      3  -0.405673D-01 -0.108037D+01 -0.139639D+01  0.100537D+00 -0.829973D+00
               126           127           128           129           130 
      1   0.100537D+00 -0.199737D+01  0.156733D+01  0.521041D-01 -0.515791D+00
      2  -0.829973D+00  0.156733D+01 -0.437111D+01 -0.557369D+00 -0.171460D+01
      3  -0.751866D+01  0.521041D-01 -0.557369D+00 -0.322027D+00 -0.370821D+00
               131           132           133           134           135 
      1  -0.171460D+01 -0.370821D+00  0.137269D+00 -0.782059D+00  0.222721D+00
      2   0.849677D+01  0.658291D+00 -0.782059D+00  0.239089D+01  0.139098D+01
      3   0.658291D+00  0.895642D+00  0.222721D+00  0.139098D+01  0.554331D+00
               136           137           138           139           140 
      1   0.303590D+01  0.170030D+01 -0.190031D+01 -0.421597D+00  0.119643D+01
      2   0.170030D+01  0.177326D+01 -0.154641D+01  0.119643D+01  0.264914D+01
      3  -0.190031D+01 -0.154641D+01  0.235177D+01 -0.110540D+01 -0.162920D+01
               141           142           143           144           145 
      1  -0.110540D+01 -0.536003D+01 -0.290208D+01  0.297403D+01 -0.286612D+01
      2  -0.162920D+01 -0.290208D+01 -0.315609D+01  0.267660D+01  0.418237D+00
      3   0.138926D+01  0.297403D+01  0.267660D+01 -0.441441D+01  0.191322D+01
               146           147           148           149           150 
      1   0.418237D+00  0.191322D+01  0.143917D+01 -0.838301D+00 -0.666623D+00
      2  -0.106680D+01 -0.195610D+00 -0.838301D+00  0.512749D+00  0.275819D+00
      3  -0.195610D+00 -0.247267D+01 -0.666623D+00  0.275819D+00  0.137670D+01
               151           152           153           154           155 
      1   0.158392D+01 -0.545330D+00 -0.193031D+01  0.590364D+01 -0.302343D+01
      2  -0.545330D+00  0.775504D+00 -0.341996D-01 -0.302343D+01  0.307326D+01
      3  -0.193031D+01 -0.341996D-01  0.441263D+01  0.317162D+01 -0.232895D+01
               156           157           158           159           160 
      1   0.317162D+01 -0.138445D+01  0.191120D+01 -0.142102D+01  0.177299D+01
      2  -0.232895D+01  0.191120D+01 -0.290766D+01  0.154265D+01 -0.173994D+01
      3   0.291279D+01 -0.142102D+01  0.154265D+01 -0.126675D+01  0.216428D+01
               161           162           163           164           165 
      1  -0.173994D+01  0.216428D+01 -0.125108D+01 -0.160273D+01 -0.275460D-01
      2   0.144571D+01 -0.195745D+01 -0.160273D+01 -0.258306D+01 -0.600908D+00
      3  -0.195745D+01  0.321807D+01 -0.275460D-01 -0.600908D+00 -0.655962D+00
               166           167           168           169           170 
      1  -0.110048D+01 -0.147055D+01 -0.575658D+00 -0.540857D+00 -0.880316D+00
      2  -0.147055D+01 -0.662485D+01 -0.784835D+00 -0.880316D+00 -0.313700D+01
      3  -0.575658D+00 -0.784835D+00 -0.118652D+01 -0.449938D+00 -0.108092D+01
               171           172           173           174           175 
      1  -0.449938D+00  0.295815D+01  0.716853D+00 -0.131620D+01  0.204279D+01
      2  -0.108092D+01  0.716853D+00  0.758060D+00 -0.103957D+01  0.104767D+01
      3  -0.101321D+01 -0.131620D+01 -0.103957D+01  0.132066D+01 -0.200030D+01
               176           177           178           179           180 
      1   0.104767D+01 -0.200030D+01 -0.146521D+01 -0.114688D+01  0.221866D+01
      2   0.249527D+01 -0.190847D+01 -0.114688D+01 -0.188812D+01  0.153729D+01
      3  -0.190847D+01  0.273191D+01  0.221866D+01  0.153729D+01 -0.412973D+01
               181           182           183           184           185 
      1  -0.102392D+00 -0.769615D+00 -0.216865D+00 -0.138806D+01  0.349434D+00
      2  -0.769615D+00 -0.198718D+01 -0.149107D+01  0.349434D+00 -0.537757D+01
      3  -0.216865D+00 -0.149107D+01 -0.158138D+01 -0.105104D+00 -0.313058D+01
               186           187           188           189           190 
      1  -0.105104D+00 -0.193982D+00 -0.299646D+00  0.197123D+00  0.949499D+01
      2  -0.313058D+01 -0.299646D+00 -0.284312D+01 -0.240662D+01 -0.354232D+01
      3  -0.246392D+01  0.197123D+00 -0.240662D+01 -0.323955D+01  0.114934D+01
               191           192           193           194           195 
      1  -0.354232D+01  0.114934D+01 -0.304966D+01  0.262254D+01 -0.649048D+00
      2   0.201114D+01 -0.719782D+00  0.262254D+01 -0.221019D+01  0.267952D-01
      3  -0.719782D+00  0.123455D+01 -0.649048D+00  0.267952D-01 -0.529105D+00
               196           197           198           199           200 
      1   0.610076D+01 -0.207128D+01  0.139711D+01  0.140474D+01  0.535235D+00
      2  -0.207128D+01  0.113862D+01 -0.651508D+00  0.535235D+00  0.214898D-01
      3   0.139711D+01 -0.651508D+00  0.113192D+01  0.823409D+00  0.132000D-02
               201           202           203           204           205 
      1   0.823409D+00  0.143685D+01 -0.102829D+01  0.277416D+00  0.208760D+01
      2   0.132000D-02 -0.102829D+01  0.645161D+00  0.114943D+01  0.628249D+00
      3  -0.347808D-01  0.277416D+00  0.114943D+01  0.117510D+01  0.556387D+00
               206           207           208           209           210 
      1   0.628249D+00  0.556387D+00 -0.149105D+01 -0.630049D+00 -0.125102D+01
      2   0.134974D+01  0.118700D+01 -0.630049D+00 -0.829515D-01 -0.987193D-01
      3   0.118700D+01  0.467792D+01 -0.125102D+01 -0.987193D-01  0.156469D+00
               211           212           213           214           215 
      1  -0.927152D+00  0.253813D+00 -0.709255D+00 -0.178993D+01 -0.508880D+00
      2   0.253813D+00 -0.548226D+00 -0.923367D+00 -0.508880D+00 -0.110350D+01
      3  -0.709255D+00 -0.923367D+00 -0.176669D+01 -0.901284D+00 -0.162918D+01
               216           217           218           219           220 
      1  -0.901284D+00 -0.135868D+01 -0.549768D+00  0.433287D+00 -0.382417D+01
      2  -0.162918D+01 -0.549768D+00  0.666483D+00  0.423320D+00 -0.225144D+01
      3  -0.662000D+01  0.433287D+00  0.423320D+00  0.271144D+00 -0.952197D+00
               221           222           223           224           225 
      1  -0.225144D+01 -0.952197D+00 -0.149256D+01 -0.535817D+00 -0.157252D+01
      2  -0.773754D+01 -0.284745D+01 -0.535817D+00 -0.221191D+01 -0.162535D+01
      3  -0.284745D+01 -0.204254D+01 -0.157252D+01 -0.162535D+01 -0.237469D+01
               226           227           228           229           230 
      1  -0.311087D+01  0.755180D+00 -0.553438D+00  0.269898D+01 -0.132240D+01
      2   0.755180D+00 -0.278653D+00  0.524957D+00 -0.132240D+01  0.159330D+01
      3  -0.553438D+00  0.524957D+00 -0.801175D+00  0.168760D+01 -0.231818D+01
               231           232           233           234           235 
      1   0.168760D+01 -0.407153D+01  0.328170D+00 -0.357685D+01 -0.937284D+01
      2  -0.231818D+01  0.328170D+00 -0.229537D+01  0.178268D+01 -0.273764D+00
      3   0.306486D+01 -0.357685D+01  0.178268D+01 -0.654974D+01  0.234257D+01
               236           237           238           239           240 
      1  -0.273764D+00  0.234257D+01  0.588594D+00 -0.123252D+01  0.106010D+00
      2  -0.100165D+01  0.171741D+00 -0.123252D+01 -0.374988D+00  0.826167D-01
      3   0.171741D+00 -0.168954D+01  0.106010D+00  0.826167D-01  0.230879D+00
               241           242           243 
      1   0.555921D+01  0.444006D+00 -0.232965D+01
      2   0.444006D+00  0.638161D+00  0.307469D-02
      3  -0.232965D+01  0.307469D-02  0.163129D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.583514D+01  0.966036D+01  0.669449D+01  0.919357D+01  0.998625D+01
      2  -0.877063D+01  0.188616D+01  0.781464D+01  0.737997D+01  0.161359D+01
      3  -0.433972D+01 -0.915959D+01  0.183704D+01 -0.307193D+00 -0.635036D+01
                 6             7             8             9            10 
      1  -0.123799D+01  0.653076D+01  0.622480D+01 -0.527290D+01  0.757920D+01
      2  -0.704474D+01  0.327585D+01 -0.670459D+01 -0.410539D+01  0.246262D+02
      3  -0.109817D+02  0.639737D-02 -0.136618D+02 -0.923315D+00  0.123901D+02
                11            12            13            14            15 
      1  -0.603867D+01 -0.625988D+00 -0.105013D+02 -0.582384D+01 -0.563181D+01
      2  -0.101777D+02  0.203172D+01 -0.156401D+02 -0.474053D+01 -0.158512D+01
      3  -0.291575D+01  0.843497D+01  0.684211D+01  0.118173D+02  0.123418D+02
                16            17            18            19            20 
      1   0.605725D+01  0.328975D+01 -0.574545D+00 -0.870607D+00  0.386773D+01
      2   0.716280D+01 -0.253032D+00  0.249321D+01 -0.377538D+02 -0.123594D+01
      3   0.127390D+02  0.124908D+02  0.422340D+00 -0.222116D+02 -0.400763D+01
                21            22            23            24            25 
      1  -0.139834D+01  0.163055D+02  0.464067D+01 -0.156979D+01 -0.615984D+01
      2   0.187095D+01  0.297677D+01 -0.775993D+01  0.453835D+01 -0.185839D+02
      3  -0.241843D+01  0.272765D+01 -0.904614D+01  0.303310D+01 -0.514814D+01
                26            27            28            29            30 
      1   0.523818D+01 -0.401377D+01 -0.500960D+01 -0.239846D+00  0.718210D-01
      2   0.274242D+01  0.292954D+01  0.444322D+02  0.513324D+01 -0.499768D+01
      3   0.110826D+01 -0.103409D+01  0.206342D+02  0.994668D+01 -0.162314D+01
                31            32            33            34            35 
      1  -0.420975D+01 -0.286744D+01 -0.280059D+01  0.239928D+01 -0.219428D+00
      2   0.130910D+02  0.344866D+01 -0.130681D+01 -0.154452D+02 -0.110964D+01
      3   0.384730D+02  0.803824D+01  0.463954D+00 -0.114012D+01 -0.390157D+00
                36            37            38            39            40 
      1   0.340618D+01  0.309379D+01  0.152625D+01 -0.689823D+00  0.798118D+01
      2   0.141594D+01 -0.474041D+02 -0.384006D+01  0.140202D+02 -0.145086D+02
      3  -0.467325D+00 -0.172239D+02 -0.125621D+02  0.172726D+01 -0.110280D+02
                41            42            43            44            45 
      1   0.937851D+00 -0.509559D+01  0.231745D+01  0.278209D+00  0.754868D+00
      2  -0.260905D+01 -0.107250D+01 -0.153568D+02 -0.394431D+01 -0.638086D+01
      3  -0.617992D+01 -0.931404D+00  0.323916D-01 -0.557001D-01  0.945476D+00
                46            47            48            49            50 
      1   0.595820D+00 -0.248806D+01  0.266961D+01  0.671712D+01 -0.375924D+01
      2   0.653342D+01  0.168273D+01 -0.635639D+01 -0.751346D+01  0.180866D+01
      3   0.199495D+01  0.136420D+02 -0.372292D+01  0.255808D+02  0.160321D+01
                51            52            53            54            55 
      1  -0.776920D+01  0.210530D+01 -0.389329D+01  0.225980D+01 -0.160900D+01
      2   0.664101D+01 -0.557484D+02 -0.162216D+00  0.303732D+02 -0.328265D+00
      3  -0.118161D+01 -0.622668D+01 -0.988246D+01 -0.808511D+00  0.758055D-01
                56            57            58            59            60 
      1   0.789072D+00 -0.696131D+00 -0.200124D+00  0.274613D+01 -0.141949D+01
      2   0.192069D+01  0.837958D+01  0.104681D+02 -0.873175D+01 -0.814115D+01
      3  -0.773449D+01 -0.662075D+00 -0.655961D+01  0.592417D+01  0.789803D+01
                61            62            63            64            65 
      1  -0.132927D+01  0.907728D+01 -0.392959D+00 -0.568055D+01  0.602380D+01
      2   0.354200D+02 -0.337884D+01 -0.460425D+02 -0.164701D+02  0.170531D+02
      3   0.559584D+01  0.130310D+02  0.206499D+01 -0.213740D+01 -0.465733D+01
                66            67            68            69            70 
      1  -0.490036D+01  0.865483D+01  0.296652D+01 -0.814894D+01 -0.902367D+01
      2   0.263351D+01  0.162053D+02  0.128234D+02  0.204681D+01 -0.124353D+02
      3  -0.118439D+02  0.698866D+01 -0.706771D+01 -0.197493D+02 -0.135287D+02
                71            72            73            74            75 
      1  -0.180354D+01  0.402449D+01 -0.172494D+01  0.623097D+01 -0.517978D+01
      2   0.558051D+01  0.761660D+01  0.801222D+01  0.226753D+01  0.131892D+02
      3  -0.174293D+02  0.108310D+01 -0.135437D+01 -0.143665D+02  0.647612D+00
                76            77            78            79            80 
      1   0.224207D+01  0.112481D+01  0.534389D+01 -0.412948D+01  0.101011D+02
      2   0.349995D+00  0.692434D+01 -0.277126D+01  0.485151D+01 -0.641314D+01
      3  -0.660564D+01 -0.127492D+02 -0.131336D+02  0.242677D+01 -0.123533D+02
                81            82            83            84            85 
      1   0.159873D+01 -0.420014D+01 -0.137302D+02  0.784611D+01 -0.166409D+02
      2  -0.149739D+02  0.930769D+01  0.774605D+01 -0.340462D+01  0.923578D+01
      3   0.999677D+01  0.297096D+01 -0.686926D+01 -0.592431D+01  0.811102D+01
                86            87            88            89            90 
      1   0.493988D+00 -0.368925D+01  0.499054D+01  0.242002D+01 -0.537360D+00
      2   0.512677D+01  0.224420D+01 -0.191139D+01  0.319546D+01 -0.190756D+01
      3   0.166644D+02  0.697503D+01  0.879724D+00  0.142187D+02 -0.921450D+01
                91            92            93            94            95 
      1  -0.306403D+00  0.235355D+01  0.130822D+01 -0.748023D+01 -0.300034D+01
      2   0.211863D+02  0.349738D+01 -0.462426D+01  0.428327D+01 -0.161712D+02
      3  -0.831876D+01 -0.108987D+02 -0.329219D+01  0.167300D+02  0.204560D+02
                96            97            98            99           100 
      1  -0.876271D+01  0.529898D+01 -0.137078D+01  0.405417D+01 -0.931241D+00
      2   0.759132D+01 -0.267849D+02  0.324078D+01 -0.150805D+02 -0.466735D+01
      3   0.216216D+02 -0.523364D+01  0.127822D+02 -0.730066D+01  0.670007D+01
               101           102           103           104           105 
      1   0.205529D+01 -0.183188D+01  0.162436D+00  0.872060D-01 -0.135443D+01
      2  -0.171830D+00  0.544494D+01 -0.741368D+00 -0.645163D+00  0.639648D+00
      3  -0.666667D+01  0.917394D+00 -0.219375D+00 -0.256978D-03  0.586000D+00
               106           107           108           109           110 
      1  -0.101345D+01  0.801791D-01 -0.730733D+00 -0.734715D+00 -0.188524D+01
      2   0.126698D+01  0.105934D+01  0.239315D+01  0.398186D+01 -0.130877D+01
      3   0.241242D+00  0.682415D+00 -0.167002D+00 -0.160769D+01  0.215851D+01
               111           112           113           114           115 
      1   0.236798D+01 -0.929862D+00 -0.699467D+00 -0.174549D+01  0.281776D+00
      2  -0.665818D+01 -0.474765D+00  0.266104D+01  0.237943D+01 -0.537475D+01
      3   0.190880D+01  0.207883D+01 -0.803802D+00 -0.162120D+01  0.174300D+01
               116           117           118           119           120 
      1   0.268169D+01 -0.764475D+01  0.100984D+01  0.552904D+00  0.164464D+00
      2   0.458460D+01  0.232811D+02 -0.218265D+01 -0.451820D+00  0.780166D+00
      3  -0.368797D+01 -0.490847D+01  0.342312D+00 -0.134351D+01 -0.493252D+00
               121           122           123           124           125 
      1   0.108303D+01  0.160707D+01  0.227481D+00 -0.128843D+00  0.496462D+01
      2  -0.145564D+01 -0.487184D+00 -0.164500D+01 -0.413137D+01 -0.521612D+00
      3   0.325047D+01  0.440686D+00  0.606799D+00 -0.634340D+00  0.732216D-01
               126           127           128           129           130 
      1   0.382599D+01 -0.800602D+00  0.323734D+01  0.230433D+01  0.148142D+01
      2  -0.709443D+01 -0.802018D+00 -0.712957D+00  0.355232D+00 -0.211572D+01
      3   0.725703D+00 -0.823410D+01  0.954644D+01  0.116690D+01  0.850368D+01
               131           132           133           134           135 
      1  -0.477933D+01 -0.535820D+01 -0.747870D-01 -0.268906D+01 -0.246635D+01
      2   0.336071D+00  0.337616D+00 -0.937943D+00  0.190848D+01  0.101083D+01
      3  -0.182777D+02 -0.184835D+01  0.272351D+01 -0.619773D+01 -0.203828D+01
               136           137           138           139           140 
      1   0.369470D+01  0.208550D+01 -0.575579D+01  0.233855D+01  0.200374D+01
      2  -0.594683D+00 -0.181695D+01  0.488216D+01 -0.243214D+01 -0.224444D+01
      3   0.345296D+01 -0.241655D+01 -0.102651D+01 -0.165342D+00 -0.318608D+01
               141           142           143           144           145 
      1  -0.326482D+01 -0.491426D+01 -0.121529D+01  0.968821D+01  0.608412D+01
      2   0.263203D+01 -0.325360D+00  0.295108D+01 -0.613464D+01  0.109075D+02
      3   0.502873D+00 -0.473409D+01  0.129643D+01  0.108191D+01  0.602488D+01
               146           147           148           149           150 
      1  -0.421553D+01 -0.491750D+01 -0.411031D+01  0.282558D+01  0.155510D+01
      2  -0.167054D+01 -0.530675D+01 -0.491361D+01  0.198745D+01  0.290087D+01
      3  -0.631924D+00 -0.356642D+01  0.139536D+00  0.847300D+00  0.109289D+01
               151           152           153           154           155 
      1  -0.523781D+01  0.369687D+01  0.755293D+01  0.194552D+01  0.315017D+00
      2  -0.876789D+01  0.124511D+01  0.875586D+01 -0.205973D+01 -0.119215D+01
      3  -0.358926D+01  0.152710D+01  0.415427D+01 -0.448782D+01 -0.285144D+01
               156           157           158           159           160 
      1   0.341576D+01 -0.867197D-01 -0.122430D+01 -0.218049D+01  0.140319D+01
      2   0.373833D+01  0.225239D+01  0.575006D+00 -0.683967D+00 -0.194011D+01
      3  -0.496157D+00  0.248262D+01  0.284334D+01  0.187056D+00 -0.285430D+01
               161           162           163           164           165 
      1   0.117354D+00  0.397679D+01 -0.245065D+01 -0.479195D+01 -0.347769D+01
      2  -0.762725D+00  0.375816D+01  0.194186D+01  0.155384D+01  0.197516D+00
      3   0.110228D+00 -0.318255D+00  0.791831D+01  0.653509D+01  0.145760D+01
               166           167           168           169           170 
      1  -0.333166D+01 -0.988848D+01 -0.604144D+01 -0.238755D+01 -0.421387D+01
      2   0.103186D+01  0.205905D+01  0.173629D+00 -0.119688D+01  0.122539D+00
      3   0.761907D+01  0.142581D+02  0.246914D+01  0.412167D+01  0.748238D+01
               171           172           173           174           175 
      1  -0.463704D+01 -0.253411D+01 -0.266956D+01  0.257730D+01 -0.279695D+01
      2  -0.140752D+00 -0.142327D+01 -0.250809D+01  0.421430D+01 -0.306603D+01
      3   0.307737D+01 -0.392485D+01 -0.430978D+01  0.480478D+01 -0.349497D+01
               176           177           178           179           180 
      1  -0.755449D+01  0.399860D+01  0.368090D+01  0.656253D+01 -0.564724D+01
      2  -0.558392D+01  0.769973D+01  0.334144D+01  0.405607D+01 -0.116180D+02
      3  -0.110008D+02  0.793412D+01  0.474090D+01  0.848510D+01 -0.701106D+01
               181           182           183           184           185 
      1   0.734651D+00  0.633918D+00 -0.116324D+01  0.117635D-01  0.263669D+01
      2  -0.249005D+01 -0.570329D+01 -0.424734D+01 -0.311251D+01 -0.106762D+02
      3   0.467926D+01  0.644656D+01  0.507129D+01  0.307063D+01  0.174243D+02
               186           187           188           189           190 
      1  -0.232556D+01  0.667568D+00  0.207209D+01 -0.257201D+01  0.509098D+01
      2  -0.858418D+01 -0.173852D+01 -0.858831D+01 -0.103161D+02  0.120334D+02
      3   0.107601D+02  0.271546D+01  0.104592D+02  0.837804D+01  0.642190D+00
               191           192           193           194           195 
      1  -0.280189D+01  0.345376D+01 -0.309625D+01  0.185638D+01 -0.195349D+01
      2  -0.587202D+01  0.861492D+01 -0.503625D+01  0.228238D+01 -0.378717D+01
      3  -0.612979D+01  0.110973D+01 -0.318582D+01  0.554642D+01  0.762668D+00
               196           197           198           199           200 
      1   0.334154D+01 -0.532990D+00  0.240530D+01  0.253418D+00 -0.515189D+00
      2   0.762043D+01 -0.356246D+01  0.615763D+01  0.100340D+01  0.290625D+00
      3   0.239201D+01 -0.269518D+01  0.608869D+00  0.999279D+00  0.527613D-01
               201           202           203           204           205 
      1   0.684820D-01 -0.418811D+01  0.131905D+00 -0.112475D+01  0.473988D+00
      2  -0.648407D+00 -0.162218D+01 -0.227926D+01 -0.517246D-01 -0.444584D+01
      3   0.446817D+00  0.604766D+00  0.382116D+00  0.954020D+00  0.228376D+01
               206           207           208           209           210 
      1   0.287619D+01 -0.363774D+01  0.156415D+01  0.879014D-01  0.120570D-01
      2   0.677918D+00 -0.299187D+01  0.139436D+01 -0.344051D+00 -0.626893D+00
      3   0.164393D+01 -0.365846D-01 -0.304844D+01 -0.988049D+00 -0.828466D-01
               211           212           213           214           215 
      1  -0.625398D+01  0.540011D+00  0.127393D+00  0.198446D+01  0.447958D+01
      2   0.183254D+01  0.186213D+01  0.266995D+01 -0.332419D+01  0.254078D+01
      3   0.104635D+02  0.465843D-02 -0.205125D+01 -0.323974D+01 -0.271145D+01
               216           217           218           219           220 
      1   0.391074D+00 -0.345647D+00 -0.735979D+00 -0.236664D+00  0.240260D+01
      2   0.108403D+02 -0.149206D+01 -0.204298D+01  0.557805D+00 -0.762824D+00
      3  -0.323015D+01  0.877030D+00  0.337899D+01  0.224617D+01 -0.929467D+01
               221           222           223           224           225 
      1   0.616123D+01 -0.100253D+00  0.149725D+00  0.234820D+01  0.640311D-01
      2   0.101454D+02  0.778426D+01  0.395356D+01  0.619037D+01  0.810540D+01
      3  -0.349831D+02 -0.136737D+02 -0.153710D+01 -0.985050D+01 -0.721474D+01
               226           227           228           229           230 
      1  -0.242834D+00  0.655772D+00 -0.921310D+00  0.278087D+01 -0.310223D+01
      2  -0.583713D+00 -0.151742D+01  0.425551D+01 -0.528822D+01  0.901867D+01
      3   0.153888D+01 -0.294148D+01  0.234733D+01 -0.934615D+01  0.734438D+01
               231           232           233           234           235 
      1   0.284416D+01 -0.305430D+01  0.461556D+01 -0.503305D+01  0.162997D+01
      2  -0.127631D+02  0.103460D+02 -0.762096D+01  0.255913D+02 -0.168245D+02
      3  -0.119083D+02  0.552210D+01 -0.998631D+01  0.112186D+02  0.269249D+01
               236           237           238           239           240 
      1   0.367327D-01 -0.115990D+01  0.957788D+00  0.366533D+00 -0.523304D+00
      2  -0.878220D+00  0.118908D+02 -0.423546D+00 -0.744044D+00 -0.842122D+00
      3  -0.635506D+01 -0.560389D+00 -0.313204D+01 -0.993254D+00  0.406281D+00
               241           242           243 
      1  -0.127452D+01  0.912611D+00  0.746745D+00
      2   0.108827D+02 -0.297440D-01 -0.945058D+01
      3  -0.297640D+00  0.351093D+01  0.915489D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.980512D+01  0.839793D+01 -0.677938D+01  0.266260D+01  0.352994D+01
      2  -0.316200D+01 -0.183797D+02 -0.861077D+01 -0.115530D+02 -0.152257D+02
      3  -0.664312D+01  0.998173D+01  0.153901D+02  0.889038D+01  0.116958D+02
      4   0.158446D+02 -0.111658D+02  0.246621D+02 -0.702954D+01  0.853836D+01
      5  -0.198795D+02  0.206037D+02 -0.959994D+01  0.205377D+02  0.337140D+01
      6   0.158088D+02 -0.174732D+02  0.892798D+01 -0.116102D+02 -0.724091D+01
                 6             7             8             9            10 
      1   0.229512D+02 -0.624751D+01  0.229566D+02  0.214688D+01 -0.411967D+01
      2  -0.173469D+02 -0.102655D+02 -0.199360D+02  0.403266D+01  0.142782D+02
      3  -0.560433D+01  0.165130D+02 -0.302055D+01 -0.617953D+01 -0.101585D+02
      4  -0.714998D+01  0.250614D+02 -0.936773D+01  0.299232D+01 -0.190759D+02
      5   0.506734D+01 -0.871138D+01  0.933639D+01 -0.720478D+01  0.164987D+02
      6   0.405082D+01  0.755501D+01  0.222362D+01  0.240799D+01 -0.135149D+02
                11            12            13            14            15 
      1  -0.521839D+01  0.787948D+01 -0.105808D+02 -0.103779D+02 -0.255589D+02
      2   0.487411D+01 -0.834044D-01  0.520926D+01  0.153143D+02  0.120192D+02
      3   0.344279D+00 -0.779608D+01  0.537152D+01 -0.493639D+01  0.135397D+02
      4   0.595167D+01 -0.220707D+02  0.910318D+01 -0.267162D+02 -0.105883D+02
      5  -0.193061D+02 -0.767493D+01 -0.227712D+02 -0.197266D+02 -0.959921D+00
      6   0.121371D+02 -0.195888D+01 -0.283304D+01  0.224426D+01 -0.756012D+01
                16            17            18            19            20 
      1   0.583048D+01 -0.235296D+02 -0.787869D+01  0.546843D+02  0.108599D+02
      2   0.957400D+01  0.145870D+02 -0.159319D+01 -0.555693D+02 -0.157078D+02
      3  -0.154045D+02  0.894262D+01  0.947188D+01  0.884955D+00  0.484790D+01
      4  -0.323338D+02 -0.217485D+01  0.626798D+00  0.148483D+01 -0.149968D+02
      5  -0.941125D+01  0.328422D+00  0.448351D+01  0.570046D+01  0.384656D+01
      6  -0.240507D+01 -0.422089D+01 -0.101990D+00  0.103596D+02 -0.273638D+01
                21            22            23            24            25 
      1   0.308901D+01  0.244418D+02  0.635661D+01  0.580143D+01  0.387989D+01
      2  -0.181364D+01 -0.226200D+02 -0.140628D+02  0.191139D+01 -0.850662D+01
      3  -0.127536D+01 -0.182177D+01  0.770619D+01 -0.771282D+01  0.462673D+01
      4   0.515380D+01 -0.392367D+02 -0.375815D+01 -0.214613D+01  0.142628D+02
      5   0.460707D+01  0.365067D+01  0.318659D+01  0.526699D+01  0.667338D+01
      6   0.282899D+01  0.828837D+01  0.619901D+01  0.137946D+01  0.294481D+01
                26            27            28            29            30 
      1   0.108996D+02  0.183277D+02 -0.130401D+03 -0.737132D+01  0.790272D+01
      2  -0.412544D+01  0.688858D+01  0.969012D+02  0.583165D+01 -0.392057D+01
      3  -0.677416D+01 -0.252163D+02  0.335003D+02  0.153967D+01 -0.398216D+01
      4  -0.866126D+01  0.777447D+01  0.472591D+01 -0.108511D+02  0.211074D+01
      5   0.531306D+01  0.720852D+01 -0.718717D+01  0.207381D+01 -0.131571D+02
      6   0.818377D+00 -0.716745D-01 -0.146714D+02 -0.686803D+01  0.213431D+01
                31            32            33            34            35 
      1  -0.323793D+02 -0.240081D+02  0.730525D+01 -0.281198D+02  0.160275D+01
      2   0.268652D+02  0.231219D+02 -0.553348D+01  0.176641D+02 -0.252208D+01
      3   0.551409D+01  0.886139D+00 -0.177178D+01  0.104557D+02  0.919332D+00
      4  -0.388558D+01 -0.724121D+01  0.162317D+01 -0.195960D+01  0.526093D+00
      5  -0.598900D+00 -0.316441D+00 -0.261942D+01 -0.982541D-01  0.160777D+01
      6  -0.451869D+01 -0.729236D+01  0.504649D+01 -0.109863D+01 -0.688558D-01
                36            37            38            39            40 
      1  -0.347608D+01  0.148501D+03  0.109929D+02 -0.931798D+01  0.319369D+02
      2  -0.324442D+01 -0.107865D+03 -0.686168D+01  0.649998D+01 -0.166535D+02
      3   0.672050D+01 -0.406363D+02 -0.413123D+01  0.281800D+01 -0.152833D+02
      4   0.175868D+01 -0.326837D+01  0.176001D+02 -0.867340D+00  0.311503D+02
      5   0.249544D+01 -0.556452D+01 -0.220609D+01  0.222776D+02 -0.318244D+01
      6  -0.489086D+01  0.168523D+02  0.672534D+01 -0.329147D+01  0.114473D+02
                41            42            43            44            45 
      1   0.645285D+00  0.298604D+01  0.361514D+02  0.104486D+02  0.133298D+02
      2   0.462526D+01  0.285710D+01 -0.220240D+02 -0.422003D+01 -0.675146D+00
      3  -0.527054D+01 -0.584314D+01 -0.141274D+02 -0.622858D+01 -0.126547D+02
      4   0.656029D+01  0.363900D+01 -0.716327D+00  0.422740D+01 -0.691780D+01
      5   0.402730D+01 -0.434590D+01  0.277540D+02 -0.484189D+01 -0.863643D+01
      6   0.112717D+01  0.472713D+01 -0.241319D+01  0.418303D+01 -0.597836D+01
                46            47            48            49            50 
      1  -0.585328D+02 -0.662618D+01 -0.168075D+02 -0.520048D+00 -0.326182D+01
      2   0.435840D+02 -0.175315D+01  0.576426D+01 -0.523396D+01  0.655504D+01
      3   0.149488D+02  0.837933D+01  0.110432D+02  0.575401D+01 -0.329323D+01
      4  -0.992028D+01 -0.189579D+02 -0.714168D+01  0.320473D+01  0.168575D+01
      5  -0.916965D+01 -0.433970D+01 -0.207613D+02 -0.268513D+02  0.525388D+01
      6  -0.124362D+02 -0.299326D+01 -0.127290D+01  0.238377D+01 -0.427067D+01
                51            52            53            54            55 
      1  -0.113528D+02  0.399042D+02 -0.706409D+01 -0.196367D+02  0.270168D+02
      2   0.117613D+02 -0.432607D+02  0.402404D+00  0.229477D+02 -0.160054D+02
      3  -0.408508D+00  0.335648D+01  0.666168D+01 -0.331095D+01 -0.110114D+02
      4   0.664270D+01 -0.278013D+02  0.570351D+01  0.921884D+01 -0.647472D+01
      5   0.635670D+01 -0.641284D+02  0.399636D+01  0.454817D+02 -0.176213D+02
      6   0.419365D+01  0.131118D+02 -0.658315D+01 -0.729544D+01  0.199537D+01
                56            57            58            59            60 
      1  -0.281471D+01 -0.886501D+01 -0.233955D+02 -0.309271D+00  0.441917D+01
      2   0.295594D+01  0.637375D+01  0.152881D+02  0.655272D+00 -0.417449D+01
      3  -0.141231D+00  0.249126D+01  0.810742D+01 -0.346001D+00 -0.244678D+00
      4   0.131640D+02  0.557798D+01  0.225105D+02 -0.139798D+02 -0.210109D+02
      5   0.470792D+01  0.221365D+02  0.192939D+02 -0.205485D+02 -0.105907D+02
      6  -0.119521D+01 -0.126276D+01 -0.110587D+02  0.802736D+01  0.134564D+02
                61            62            63            64            65 
      1  -0.733980D+02 -0.230592D+01  0.486812D+01 -0.347529D+02  0.213327D+02
      2   0.588092D+02  0.205904D+01 -0.339137D+02  0.770338D+01 -0.449150D+01
      3   0.145888D+02  0.246875D+00  0.290456D+02  0.270495D+02 -0.168412D+02
      4   0.148601D+02 -0.157646D+02 -0.138113D+02  0.252447D+02 -0.672646D+01
      5   0.722301D+02 -0.781802D+01 -0.768884D+02 -0.163363D+02  0.244765D+02
      6  -0.119879D+02  0.150655D+02  0.921729D+01  0.890127D+01 -0.111125D+02
                66            67            68            69            70 
      1  -0.118141D+02  0.149904D+02  0.443353D+01  0.365272D+02 -0.238634D+02
      2  -0.116212D+01  0.222580D+01 -0.495656D+00 -0.265888D+02  0.130750D+01
      3   0.129763D+02 -0.172163D+02 -0.393787D+01 -0.993841D+01  0.225559D+02
      4   0.295930D+02 -0.134308D+02  0.883111D+01  0.133323D+02  0.367952D+02
      5   0.772388D+01  0.249591D+02  0.189999D+02 -0.137683D+02  0.476438D+01
      6  -0.895446D+01 -0.635182D+01 -0.119710D+02 -0.893735D+01 -0.732283D+01
                71            72            73            74            75 
      1   0.373698D+02  0.294706D+01 -0.558980D+02 -0.174465D+02 -0.142751D+02
      2  -0.267332D+02  0.133452D+01  0.243766D+02  0.981509D+01 -0.333979D+01
      3  -0.106367D+02 -0.428158D+01  0.315214D+02  0.763145D+01  0.176149D+02
      4   0.845697D+01 -0.578140D+01 -0.235638D+02  0.268316D+01 -0.363965D+01
      5  -0.983639D+01  0.772472D+01 -0.186731D+02 -0.419198D+01  0.103073D+02
      6  -0.941841D+01 -0.890337D+00 -0.370890D+01 -0.473256D+01  0.599356D+01
                76            77            78            79            80 
      1  -0.146421D+02  0.123979D+02 -0.316913D+01 -0.215842D+01 -0.271647D+01
      2   0.113455D+02 -0.730904D+01  0.109805D+02 -0.627698D+01  0.832516D+01
      3   0.329665D+01 -0.508891D+01 -0.781133D+01  0.843540D+01 -0.560869D+01
      4   0.111526D+02  0.274848D+02  0.158535D+02  0.179426D+00  0.740843D+01
      5  -0.606979D+01  0.236458D+02 -0.438924D+01  0.129680D+02 -0.699793D+01
      6   0.542301D+01  0.949210D+01  0.116840D+01  0.494642D+01 -0.688212D+00
                81            82            83            84            85 
      1   0.228091D+02 -0.143428D+02 -0.117062D+02 -0.945858D+01 -0.124241D+02
      2  -0.184792D+01  0.213842D+02  0.279492D+02  0.152874D+02  0.246300D+02
      3  -0.209612D+02 -0.704146D+01 -0.162430D+02 -0.582883D+01 -0.122059D+02
      4  -0.352827D+01  0.100650D+02  0.102201D+02  0.117855D+02  0.238736D+02
      5  -0.122847D+02  0.242947D+01  0.125406D+02 -0.166843D+02  0.138018D+02
      6  -0.871800D+01  0.185380D+01  0.142122D+02 -0.137402D+02  0.611891D+01
                86            87            88            89            90 
      1   0.126928D+02  0.106695D+02 -0.329952D+02  0.106223D+02 -0.952897D+01
      2  -0.136548D+02 -0.910624D+01  0.353433D+02 -0.846532D+01  0.564523D+01
      3   0.961955D+00 -0.156323D+01 -0.234806D+01 -0.215698D+01  0.388373D+01
      4   0.894584D+01  0.673486D+01  0.241232D+02  0.140200D+02 -0.107933D+02
      5  -0.424835D+00  0.132101D+00 -0.225783D+02 -0.609471D+01  0.510383D+01
      6  -0.631907D+01 -0.303539D+01 -0.184293D+02 -0.626762D+01  0.791863D+01
                91            92            93            94            95 
      1  -0.142018D+02  0.920134D+01  0.443150D+02  0.210538D+02  0.117721D+02
      2   0.555516D+01 -0.253205D+01 -0.211931D+02 -0.176293D+02 -0.104814D+02
      3   0.864668D+01 -0.666929D+01 -0.231219D+02 -0.342447D+01 -0.129064D+01
      4   0.160370D+02  0.148447D+02  0.130241D+02 -0.696204D+01 -0.308456D+02
      5   0.512974D+02  0.121375D+02 -0.270804D+00  0.148497D+02 -0.283995D+02
      6   0.725001D+01  0.493896D+01  0.290097D+01 -0.428208D+01 -0.105630D+02
                96            97            98            99           100 
      1   0.117369D+02  0.610735D+02  0.107140D+02 -0.213308D+02  0.897804D+02
      2  -0.175171D+02 -0.286562D+02 -0.131825D+02  0.159203D+02 -0.447752D+02
      3   0.578016D+01 -0.324173D+02  0.246850D+01  0.541049D+01 -0.450052D+02
      4  -0.305022D+02  0.139678D+02 -0.234035D+02  0.116402D+02  0.351605D+02
      5   0.190064D+02 -0.262982D+02  0.119362D+02 -0.303869D+02  0.283527D+02
      6  -0.969192D+01  0.402624D+01 -0.553875D+01  0.628847D+01  0.768783D+01
               101           102           103           104           105 
      1   0.154171D+02  0.148508D+02  0.601346D+01  0.698840D+01  0.106363D+01
      2  -0.475905D+01 -0.922505D+01 -0.919741D-01  0.926485D+00 -0.114568D+01
      3  -0.106580D+02 -0.562578D+01 -0.592149D+01 -0.791488D+01  0.820503D-01
      4   0.192820D+02  0.788250D+01  0.162004D+02  0.691700D+01  0.250902D+01
      5   0.666336D+01  0.155260D+02  0.323606D+01  0.188044D+01  0.175242D+01
      6   0.455035D+01  0.422046D+01  0.311947D+01  0.539306D+00  0.234804D+01
               106           107           108           109           110 
      1   0.204794D+01  0.910598D+00  0.536937D+01  0.182338D+01  0.474159D+01
      2  -0.270315D+01 -0.231532D+01 -0.557988D+01 -0.330538D+01 -0.283742D+01
      3   0.655206D+00  0.140472D+01  0.210515D+00  0.148200D+01 -0.190417D+01
      4   0.202639D+01 -0.773004D+00  0.483858D+01  0.223046D+01 -0.207984D+01
      5   0.121125D+02  0.387700D+01  0.720479D+01  0.352958D+01  0.116857D+00
      6   0.325399D+01  0.193841D+01  0.316394D+01  0.302582D+01 -0.269780D+01
               111           112           113           114           115 
      1   0.106506D+02  0.179351D+01 -0.662961D+01 -0.331861D+01  0.734553D+01
      2   0.421510D+00 -0.123459D+01  0.234425D+01  0.124301D+01 -0.450704D+01
      3  -0.110721D+02 -0.558915D+00  0.428536D+01  0.207560D+01 -0.283849D+01
      4   0.115638D+01  0.179569D+01  0.995056D+00  0.275473D+01  0.342143D+01
      5  -0.402850D+01  0.142537D+01  0.156926D+01  0.363545D+01  0.609522D+01
      6  -0.491099D+01 -0.762979D+00  0.430985D+01  0.984041D+01  0.129502D+01
               116           117           118           119           120 
      1  -0.605774D+01 -0.243149D+02  0.233693D+00  0.305236D+00 -0.218430D+01
      2   0.511806D+00 -0.126633D+02 -0.426552D+01 -0.410714D+00 -0.818514D+00
      3   0.554593D+01  0.369782D+02  0.403182D+01  0.105478D+00  0.300281D+01
      4   0.742755D+01  0.736987D+01 -0.901144D+00  0.286627D+01  0.172567D+00
      5   0.832251D+01  0.339789D+02  0.399810D+00  0.113112D+01  0.732326D+01
      6   0.968953D+01  0.201165D+02  0.668075D+00  0.390650D+00 -0.339499D+00
               121           122           123           124           125 
      1   0.136682D+01 -0.695906D+01 -0.423654D+01 -0.180457D+01 -0.133604D+01
      2  -0.978019D+00  0.266627D+01 -0.208450D+01  0.106649D+01 -0.235476D+01
      3  -0.388796D+00  0.429279D+01  0.632105D+01  0.738073D+00  0.369081D+01
      4   0.135379D+01 -0.216205D+01 -0.152221D+01 -0.405663D+00 -0.225010D+01
      5   0.120712D+01 -0.196500D+01 -0.279470D+01  0.559446D+01 -0.183070D+01
      6   0.399178D+00  0.892372D+00  0.661172D+01 -0.733024D+00  0.534948D+01
               126           127           128           129           130 
      1  -0.263526D+02 -0.656381D+01  0.201879D+02  0.253870D+01  0.107842D+02
      2  -0.134786D+02  0.861769D+01 -0.282522D+02 -0.349505D+01 -0.136841D+02
      3   0.398313D+02 -0.205388D+01  0.806431D+01  0.956355D+00  0.289988D+01
      4  -0.366855D+01 -0.385383D+01  0.169914D+01 -0.555133D+00  0.589187D+01
      5  -0.121521D+02  0.562880D+00 -0.112963D+01  0.144871D+01 -0.112675D+01
      6  -0.102130D+01  0.138312D+01 -0.294376D+01 -0.230291D+01 -0.110097D+01
               131           132           133           134           135 
      1  -0.369793D+02 -0.358926D+01  0.554938D+01 -0.102552D+02 -0.545183D+01
      2   0.567609D+02  0.511024D+01 -0.531400D+01  0.141446D+02  0.633135D+01
      3  -0.197817D+02 -0.152098D+01 -0.235382D+00 -0.388938D+01 -0.879516D+00
      4   0.101174D+02 -0.174859D-01  0.411735D+00  0.289500D+01  0.264337D+01
      5   0.982104D+00  0.233305D+01  0.353470D+01  0.312127D+01  0.931195D+00
      6   0.482294D+01  0.787040D+01  0.795056D+00  0.104258D+02  0.352710D+01
               136           137           138           139           140 
      1   0.116629D+02  0.149410D+01 -0.243258D+01  0.356130D+01 -0.640198D+01
      2  -0.374944D+01  0.310445D+01 -0.952387D+00  0.176351D+00  0.122441D+02
      3  -0.791344D+01 -0.459855D+01  0.338497D+01 -0.373765D+01 -0.584211D+01
      4   0.183994D+02  0.159379D+02 -0.121402D+02  0.121306D+02  0.141543D+02
      5  -0.162363D+02 -0.103367D+02  0.169140D+02 -0.675630D+01 -0.985455D+01
      6  -0.103248D+02 -0.946308D+01  0.114424D+02 -0.768048D+01 -0.111911D+02
               141           142           143           144           145 
      1   0.264330D+01  0.201488D+01  0.715482D+01 -0.623699D+01 -0.706836D+01
      2  -0.471827D+01 -0.464517D+01 -0.925982D+01  0.573724D+00 -0.334428D+01
      3   0.207496D+01  0.263029D+01  0.210500D+01  0.566326D+01  0.104126D+02
      4  -0.103605D+02 -0.197716D+02 -0.177319D+02  0.167005D+02  0.648006D+01
      5   0.838145D+01  0.201105D+02  0.147588D+02 -0.237480D+02 -0.209355D+01
      6   0.106005D+02  0.161536D+02  0.178733D+02 -0.229635D+02 -0.376245D+01
               146           147           148           149           150 
      1  -0.381579D+01  0.112823D+02  0.109284D+01 -0.221763D+01 -0.599773D+01
      2   0.624939D+01  0.373241D+01  0.317648D+01  0.143707D+00 -0.125633D+01
      3  -0.243360D+01 -0.150147D+02 -0.426931D+01  0.207393D+01  0.725406D+01
      4  -0.546731D+00 -0.640061D+01 -0.175875D+01  0.248270D+01  0.178269D+01
      5  -0.130963D+01  0.154718D+01 -0.115473D+01 -0.466733D+00  0.284483D+01
      6  -0.185679D+01  0.587391D+01 -0.123498D+01  0.230151D+01  0.939283D+00
               151           152           153           154           155 
      1   0.886806D+01 -0.967857D+00 -0.170947D+02  0.160904D+02 -0.229700D+01
      2   0.388884D+01 -0.198830D+01 -0.794807D+01 -0.777902D+01 -0.289935D+01
      3  -0.127569D+02  0.295615D+01  0.250428D+02 -0.831141D+01  0.519635D+01
      4  -0.812318D+01  0.282132D+01  0.481998D+01 -0.294761D+02  0.237257D+02
      5   0.376006D+01 -0.151428D+01  0.386613D+01  0.262553D+02 -0.157074D+02
      6   0.288280D+01  0.426788D+01 -0.944145D+01 -0.146708D+02  0.143551D+02
               156           157           158           159           160 
      1   0.271340D+01 -0.176553D+01 -0.364773D+01  0.149615D+01  0.411255D+01
      2  -0.395295D+01 -0.178624D+01  0.984258D+01 -0.198563D+01 -0.456456D+01
      3   0.123955D+01  0.355177D+01 -0.619485D+01  0.489486D+00  0.452012D+00
      4  -0.179593D+02  0.165089D+02 -0.176137D+02  0.111899D+02 -0.146803D+02
      5   0.217543D+02 -0.985862D+01  0.989680D+01 -0.851222D+01  0.178402D+02
      6  -0.142077D+02  0.980254D+01 -0.117939D+02  0.103781D+02 -0.110279D+02
               161           162           163           164           165 
      1   0.158823D+01 -0.257449D+01 -0.662407D+01 -0.122199D+02 -0.392194D-01
      2  -0.408364D+00 -0.473830D+01  0.865286D+01  0.180904D+02  0.363123D+01
      3  -0.117986D+01  0.731280D+01 -0.202880D+01 -0.587050D+01 -0.359201D+01
      4   0.114329D+02 -0.135860D+02  0.205727D+01  0.366870D+01 -0.105887D+01
      5  -0.119519D+02  0.193125D+02 -0.727311D+00 -0.432148D+01  0.201599D+00
      6   0.119500D+02 -0.152423D+02 -0.723019D+00 -0.103351D+00  0.258929D+01
               166           167           168           169           170 
      1  -0.698087D+01 -0.254201D+02 -0.317839D+01 -0.295402D+01 -0.117549D+02
      2   0.106931D+02  0.419823D+02  0.768839D+01  0.477538D+01  0.181214D+02
      3  -0.371222D+01 -0.165622D+02 -0.451000D+01 -0.182136D+01 -0.636649D+01
      4   0.502491D+01 -0.876984D+01  0.629686D+00  0.354510D+00 -0.436282D+01
      5  -0.431663D+01 -0.496809D+01 -0.404253D+01  0.139537D+00 -0.402627D+01
      6   0.794413D+00 -0.226466D+01  0.640645D+01  0.101168D+01  0.527996D+01
               171           172           173           174           175 
      1  -0.482971D+01  0.179671D+02  0.455087D+01 -0.861549D+01  0.140043D+02
      2   0.604642D+01 -0.123972D+02 -0.547026D+01  0.982762D+01 -0.124340D+02
      3  -0.121671D+01 -0.556987D+01  0.919392D+00 -0.121212D+01 -0.157029D+01
      4  -0.110055D+01  0.250009D+01  0.712067D+01 -0.654247D+01  0.784822D+01
      5  -0.276819D+01 -0.137288D+02 -0.904071D+01  0.139367D+02 -0.168153D+02
      6   0.520504D+01 -0.185266D+01 -0.717217D+00  0.122560D+01 -0.106626D+01
               176           177           178           179           180 
      1   0.444146D+01 -0.972680D+01 -0.929442D+01 -0.661041D+01  0.572915D+01
      2  -0.649536D+01  0.140201D+02  0.127375D+02  0.106176D+02 -0.177271D+02
      3   0.205390D+01 -0.429326D+01 -0.344311D+01 -0.400714D+01  0.119979D+02
      4   0.158548D+02 -0.106592D+02 -0.665320D+01 -0.108097D+02  0.849185D+01
      5  -0.129812D+02  0.201545D+02  0.198208D+02  0.120542D+02 -0.300829D+02
      6  -0.502034D+01  0.408292D+01  0.856175D+00  0.592839D+01 -0.101753D+01
               181           182           183           184           185 
      1  -0.286308D+01 -0.134431D+02 -0.788429D+01 -0.952718D+01 -0.214489D+02
      2   0.284221D+01  0.969606D+01  0.331460D+01  0.393302D+01  0.218720D+02
      3   0.208636D-01  0.374705D+01  0.456969D+01  0.559415D+01 -0.423077D+00
      4  -0.148414D+01 -0.403854D+01 -0.507801D+01  0.726720D+01 -0.251571D+02
      5   0.184196D+01 -0.411977D+01 -0.419983D+01  0.236064D+01 -0.143212D+02
      6   0.211853D+01  0.803346D+01  0.706950D+01 -0.375747D+00  0.214985D+02
               186           187           188           189           190 
      1  -0.156988D+02 -0.351545D+01 -0.160969D+02 -0.139585D+02  0.746271D+02
      2   0.961565D+01  0.260200D+01  0.925387D+01  0.262683D+01 -0.291689D+02
      3   0.608314D+01  0.913451D+00  0.684304D+01  0.113316D+02 -0.454582D+02
      4  -0.144465D+02 -0.908662D-01 -0.135323D+02 -0.103706D+02 -0.419147D+02
      5  -0.115657D+02  0.454949D+01 -0.102856D+02 -0.156544D+02  0.185145D+01
      6   0.169780D+02  0.474546D+00  0.163025D+02  0.160756D+02 -0.124525D+01
               191           192           193           194           195 
      1  -0.218197D+02  0.102852D+02 -0.209635D+02  0.108209D+02 -0.540864D+01
      2   0.391181D+01 -0.179208D+01  0.245858D+01  0.123877D+01  0.132540D+01
      3   0.179079D+02 -0.849314D+01  0.185049D+02 -0.120597D+02  0.408324D+01
      4   0.231768D+02 -0.712223D+01  0.268170D+02 -0.200165D+02  0.259051D+01
      5  -0.245559D+01  0.110773D+02 -0.181725D+01 -0.324817D+00 -0.338234D+01
      6   0.277532D+00 -0.301599D+01 -0.141496D+00  0.113166D+01  0.404456D+01
               196           197           198           199           200 
      1   0.297572D+02 -0.105718D+02  0.916048D+01 -0.248661D+00 -0.107716D+01
      2  -0.928687D+01  0.205268D+01 -0.381167D+01  0.146332D+01  0.723749D+00
      3  -0.204704D+02  0.851915D+01 -0.534881D+01 -0.121466D+01  0.353414D+00
      4  -0.208411D+02  0.116498D+02 -0.651753D+01  0.165127D+00  0.130984D+01
      5   0.104605D+02 -0.395697D+01  0.888814D+01 -0.102491D+01  0.436658D+00
      6  -0.338877D+01  0.342325D+01 -0.360259D+01  0.106668D+01  0.575301D-01
               201           202           203           204           205 
      1  -0.142910D+01 -0.267861D+01 -0.974255D+00 -0.451396D+01 -0.650514D+01
      2   0.107229D+01 -0.170459D+01  0.459510D+00  0.250829D+01  0.312997D+01
      3   0.356812D+00  0.438320D+01  0.514745D+00  0.200567D+01  0.337516D+01
      4   0.822766D+00  0.204864D+00 -0.136642D+01 -0.205649D+01  0.787621D+00
      5   0.136798D+01  0.320407D+00 -0.130479D+01 -0.554965D+00  0.609867D+00
      6   0.158133D+00 -0.979165D+00  0.328444D+01  0.317154D+01  0.113795D+01
               206           207           208           209           210 
      1  -0.588585D+01 -0.127408D+02  0.275252D+01  0.224476D+01  0.580419D+01
      2   0.395453D+01  0.228730D+01 -0.355862D+01 -0.121747D+01 -0.218568D+01
      3   0.193131D+01  0.104535D+02  0.806103D+00 -0.102729D+01 -0.361851D+01
      4  -0.125963D+01 -0.251595D+01  0.276976D+01  0.145752D+01  0.165903D+01
      5  -0.163885D+01 -0.450301D+01  0.547940D+01  0.181563D+01  0.492470D+01
      6   0.480062D+01  0.712160D+01  0.169375D+01 -0.159530D+00  0.553644D+00
               211           212           213           214           215 
      1   0.204100D+01 -0.370707D+01 -0.395127D+01  0.111243D+01 -0.475321D+01
      2  -0.398915D+01  0.214183D+00 -0.171529D+01 -0.330137D+01 -0.393815D+00
      3   0.194815D+01  0.349289D+01  0.566656D+01  0.218895D+01  0.514702D+01
      4  -0.246806D+01  0.119096D+01  0.220738D+01  0.299058D+01  0.311144D+01
      5   0.454568D+01  0.304830D+01  0.641116D+01  0.735799D+01  0.528150D+01
      6  -0.151000D+01  0.255286D+01  0.409917D+01  0.227709D+01  0.594478D+01
               216           217           218           219           220 
      1  -0.203179D+02  0.487514D+01  0.822848D+01 -0.616233D-01  0.222583D+02
      2  -0.811720D+01 -0.147066D+01 -0.572192D+01 -0.195103D+00 -0.613283D+01
      3   0.284351D+02 -0.340448D+01 -0.250656D+01  0.256726D+00 -0.161255D+02
      4   0.403109D+01  0.300305D+01 -0.367641D+00 -0.166392D+01  0.239068D+02
      5   0.213638D+02 -0.227476D+01 -0.975639D+00  0.151346D+00  0.102441D+02
      6   0.610913D+01  0.197740D+01 -0.141523D+01 -0.166426D+01  0.573442D+01
               221           222           223           224           225 
      1  -0.825460D+01 -0.295782D+01  0.816535D+01 -0.370907D+01  0.192409D+01
      2   0.214703D+02  0.487995D+01 -0.467091D+01  0.303544D+01 -0.203366D+01
      3  -0.132157D+02 -0.192213D+01 -0.349444D+01  0.673627D+00  0.109573D+00
      4   0.611873D+02  0.229654D+02  0.458874D+01  0.176708D+02  0.120477D+02
      5   0.214940D+02  0.157415D+02  0.150320D+02  0.122922D+02  0.188170D+02
      6   0.181226D+02  0.120360D+02  0.253087D+01  0.104099D+02  0.684359D+01
               226           227           228           229           230 
      1   0.183118D+02 -0.627265D+01  0.677768D+01 -0.206159D+02  0.256978D+01
      2  -0.125180D+02  0.403494D+01 -0.539076D+01  0.137656D+02 -0.225120D+01
      3  -0.579381D+01  0.223771D+01 -0.138692D+01  0.685031D+01 -0.318585D+00
      4  -0.698758D+01  0.442417D+01 -0.548992D+01  0.148959D+02 -0.146499D+02
      5   0.900056D+01 -0.619422D+01  0.117947D+02 -0.184954D+02  0.196718D+02
      6  -0.280534D+01  0.575923D+00 -0.819255D+00  0.528344D+01 -0.608118D+01
               231           232           233           234           235 
      1  -0.652299D+01  0.252452D+02  0.128355D+00  0.110876D+02  0.983471D+02
      2   0.105477D+02 -0.196796D+02  0.540240D+01 -0.230472D+02 -0.468559D+02
      3  -0.402473D+01 -0.556560D+01 -0.553075D+01  0.119596D+02 -0.514912D+02
      4   0.209103D+02 -0.506110D+01  0.198226D+02 -0.170187D+02  0.666667D+01
      5  -0.272867D+02  0.362767D+02 -0.156395D+02  0.571455D+02 -0.196530D+02
      6   0.932075D+01 -0.318727D+01  0.724344D+01 -0.708064D+01 -0.292660D+01
               236           237           238           239           240 
      1   0.205882D+01 -0.240855D+02 -0.547030D+01  0.915255D+01 -0.535624D+00
      2   0.114912D+00  0.101862D+02  0.384337D+01 -0.286921D+01  0.939520D+00
      3  -0.217373D+01  0.138993D+02  0.162693D+01 -0.628334D+01 -0.403896D+00
      4   0.127923D+02 -0.269412D+01  0.145765D+02  0.324451D+01 -0.187561D+01
      5  -0.173925D+01  0.173594D+02 -0.617736D+00 -0.142546D+01 -0.227126D+01
      6   0.213665D+00  0.182250D+01 -0.258698D+00  0.638499D+00  0.247753D+01
               241           242           243 
      1  -0.522217D+02 -0.289793D+01  0.206891D+02
      2   0.247446D+02  0.131947D+01 -0.115505D+02
      3   0.274771D+02  0.157846D+01 -0.913863D+01
      4  -0.539300D+01 -0.708241D+01  0.655633D+00
      5   0.241875D+02  0.121210D+00 -0.166665D+02
      6   0.265459D+01  0.186216D+01 -0.250262D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124289D+01      0.315911D+01      0.105377D+02
   x          0.701090D+00      0.178199D+01      0.594408D+01
   y         -0.270005D+00     -0.686284D+00     -0.228920D+01
   z         -0.990123D+00     -0.251664D+01     -0.839461D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124605D+03      0.184645D+02      0.205445D+02
   aniso      0.563378D+02      0.834841D+01      0.928885D+01
   xx         0.161281D+03      0.238994D+02      0.265917D+02
   yx         0.503065D+01      0.745465D+00      0.829442D+00
   yy         0.104214D+03      0.154429D+02      0.171826D+02
   zx         0.311106D+01      0.461011D+00      0.512944D+00
   zy         0.314748D+01      0.466409D+00      0.518950D+00
   zz         0.108319D+03      0.160512D+02      0.178593D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.136281D+03      0.201948D+02      0.224697D+02
   aniso      0.678395D+02      0.100528D+02      0.111852D+02
   xx         0.180646D+03      0.267690D+02      0.297845D+02
   yx         0.591379D+01      0.876334D+00      0.975053D+00
   yy         0.112194D+03      0.166254D+02      0.184983D+02
   zx         0.302956D+01      0.448934D+00      0.499507D+00
   zy         0.317624D+01      0.470670D+00      0.523691D+00
   zz         0.116003D+03      0.171899D+02      0.191263D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.31057103          3.01161153          0.66057137
     6          3.15169930          0.55898889          2.14372613
     6          0.72104114         -1.14537824          1.74743911
     6         -0.68428646         -0.66406633         -0.61938830
     6         -3.12615275         -0.05670664         -0.78313223
     6         -4.36984297          0.40207931         -3.25359649
     8         -3.24387892          0.25109352         -5.25017365
     6          3.56167641          1.04759525          4.95289864
     6          4.78450642         -1.68090019          1.17765614
     6          2.51877902         -3.47451589          1.57415738
     6         -7.14405281          1.07839203         -3.15095843
     1          6.50932251         -2.08450686          2.23064673
     1          5.27022703         -1.47234985         -0.81429324
     1         -0.56889375         -1.13080403          3.35615870
     1          2.11116318         -4.81747347          0.06885585
     1          2.60760481         -4.49976335          3.35605105
     1          3.06113845          2.71024006         -1.36204028
     1          5.15563423          3.89572492          0.94486153
     1          1.86577704          4.35030898          1.28110987
     1          3.45799868         -0.69393072          6.05435274
     1          2.13541212          2.34845247          5.68609534
     1          5.41947208          1.88970801          5.27572033
     1          0.34910321         -0.81935343         -2.38810818
     1         -4.27243619          0.11992801          0.90831120
     1         -7.41615038          2.78555199         -2.01913147
     1         -8.20768111         -0.43132452         -2.22423329
     1         -7.87028210          1.37824008         -5.04921726

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124289D+01      0.315911D+01      0.105377D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.124289D+01      0.315911D+01      0.105377D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124605D+03      0.184645D+02      0.205445D+02
   aniso      0.563378D+02      0.834841D+01      0.928885D+01
   xx         0.147859D+03      0.219104D+02      0.243786D+02
   yx        -0.800009D+01     -0.118549D+01     -0.131904D+01
   yy         0.103918D+03      0.153990D+02      0.171337D+02
   zx         0.223331D+02      0.330942D+01      0.368222D+01
   zy        -0.275125D+01     -0.407694D+00     -0.453620D+00
   zz         0.122037D+03      0.180841D+02      0.201213D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.136281D+03      0.201948D+02      0.224697D+02
   aniso      0.678395D+02      0.100528D+02      0.111852D+02
   xx         0.163480D+03      0.242252D+02      0.269542D+02
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 CONFIDENCE: THAT QUIET ASSURED FEELING YOU HAVE
 JUST BEFORE YOU FALL FLAT ON YOUR FACE.
 Job cpu time:       0 days  4 hours 54 minutes 38.8 seconds.
 Elapsed time:       0 days  0 hours 36 minutes 56.0 seconds.
 File lengths (MBytes):  RWF=    477 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:29:40 2021.
